2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine

C128H174ClN39O4 — CID 158588455

IUPAC2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine
SMILESCC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cncc(-n2ccccc2=O)n1.CC(C)c1cncc(-n2ccnc2)n1.CC(C)c1cncc(C#N)n1.CC(C)c1cncc(Cl)n1.CC(C)c1cncc(N(C)C)n1.CC(C)c1cncc(N2CCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CCN(CC)c1cncc(C(C)C)n1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cnn(-c2cnc(C(C)C)cn2)c1
InChIInChI=1S/2C12H13N3O.2C11H14N4.C11H17N3O.C11H17N3.C11H19N3.C10H12N4.C9H15N3.C8H9N3.C8H12N2O.C7H9ClN2.C7H10N2/c1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-9(2)10-7-13-8-11(14-10)15-6-4-3-5-12(15)16;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-7-12-8-11(13-10)14-5-3-4-6-14;1-5-14(6-2)11-8-12-7-10(13-11)9(3)4;1-8(2)9-5-12-6-10(13-9)14-4-3-11-7-14;1-7(2)8-5-10-6-9(11-8)12(3)4;1-6(2)8-5-10-4-7(3-9)11-8;1-6(2)7-4-9-5-8(10-7)11-3;1-5(2)6-3-9-4-7(8)10-6;1-6(2)7-5-8-3-4-9-7/h2*3-9H,1-2H3;2*4-8H,1-3H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;3-8H,1-2H3;5-7H,1-4H3;4-6H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyHUDAQAYDABPDHI-UHFFFAOYSA-N
MW2358.52 g/mol
LogP24.16
Rot. Bonds25

About 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine

2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine (PubChem CID 158588455) has the molecular formula C128H174ClN39O4 and a molecular weight of 2358.52 g/mol. Its IUPAC name is 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine.

Molecular Properties

Compound Name2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine
PubChem CID158588455
Molecular FormulaC128H174ClN39O4
Molecular Weight2358.52 g/mol
Exact Mass2356.43
IUPAC Name2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine
SMILESCC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cncc(-n2ccccc2=O)n1.CC(C)c1cncc(-n2ccnc2)n1.CC(C)c1cncc(C#N)n1.CC(C)c1cncc(Cl)n1.CC(C)c1cncc(N(C)C)n1.CC(C)c1cncc(N2CCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CCN(CC)c1cncc(C(C)C)n1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cnn(-c2cnc(C(C)C)cn2)c1
InChIInChI=1S/2C12H13N3O.2C11H14N4.C11H17N3O.C11H17N3.C11H19N3.C10H12N4.C9H15N3.C8H9N3.C8H12N2O.C7H9ClN2.C7H10N2/c1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-9(2)10-7-13-8-11(14-10)15-6-4-3-5-12(15)16;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-7-12-8-11(13-10)14-5-3-4-6-14;1-5-14(6-2)11-8-12-7-10(13-11)9(3)4;1-8(2)9-5-12-6-10(13-9)14-4-3-11-7-14;1-7(2)8-5-10-6-9(11-8)12(3)4;1-6(2)8-5-10-4-7(3-9)11-8;1-6(2)7-4-9-5-8(10-7)11-3;1-5(2)6-3-9-4-7(8)10-6;1-6(2)7-5-8-3-4-9-7/h2*3-9H,1-2H3;2*4-8H,1-3H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;3-8H,1-2H3;5-7H,1-4H3;4-6H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyHUDAQAYDABPDHI-UHFFFAOYSA-N
XLogP24.16
TPSA487.81 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds25
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002358.52
LogP ≤ 524.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine?
The IUPAC name of 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine (CID 158588455) is 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine.
What is the SMILES notation for 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine?
The canonical SMILES for 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine is CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cncc(-n2ccccc2=O)n1.CC(C)c1cncc(-n2ccnc2)n1.CC(C)c1cncc(C#N)n1.CC(C)c1cncc(Cl)n1.CC(C)c1cncc(N(C)C)n1.CC(C)c1cncc(N2CCCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cnccn1.CCN(CC)c1cncc(C(C)C)n1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cnn(-c2cnc(C(C)C)cn2)c1.
What is the InChIKey of 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine?
The InChIKey is HUDAQAYDABPDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N3O.2C11H14N4.C11H17N3O.C11H17N3.C11H19N3.C10H12N4.C9H15N3.C8H9N3.C8H12N2O.C7H9ClN2.C7H10N2/c1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-9(2)10-7-13-8-11(14-10)15-6-4-3-5-12(15)16;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-7-12-8-11(13-10)14-5-3-4-6-14;1-5-14(6-2)11-8-12-7-10(13-11)9(3)4;1-8(2)9-5-12-6-10(13-9)14-4-3-11-7-14;1-7(2)8-5-10-6-9(11-8)12(3)4;1-6(2)8-5-10-4-7(3-9)11-8;1-6(2)7-4-9-5-8(10-7)11-3;1-5(2)6-3-9-4-7(8)10-6;1-6(2)7-5-8-3-4-9-7/h2*3-9H,1-2H3;2*4-8H,1-3H3;7-9H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;7-9H,5-6H2,1-4H3;3-8H,1-2H3;5-7H,1-4H3;4-6H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine?
2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine has a molecular weight of 2358.52 g/mol, XLogP of 24.16, 25 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine is sourced from PubChem (CID 158588455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).