2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine

C12H18N6O — CID 106424446

IUPAC2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCc2nc(C)no2)n1
InChIInChI=1S/C12H18N6O/c1-3-5-14-10-7-13-8-11(17-10)15-6-4-12-16-9(2)18-19-12/h7-8H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyAOZJWJPVNHLEEU-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.64
Rot. Bonds7

About 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine

2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 106424446) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID106424446
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCCc2nc(C)no2)n1
InChIInChI=1S/C12H18N6O/c1-3-5-14-10-7-13-8-11(17-10)15-6-4-12-16-9(2)18-19-12/h7-8H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyAOZJWJPVNHLEEU-UHFFFAOYSA-N
XLogP1.64
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80813147
3,5-dichloro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 106424413
4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103761486
2-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103761485
6-bromo-2-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 114186756
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylic acid
CID 114186390
6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186385
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 106422913
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136993657
6-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186380
methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
CID 114186375

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine (CID 106424446) is 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCCc2nc(C)no2)n1.
What is the InChIKey of 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is AOZJWJPVNHLEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-5-14-10-7-13-8-11(17-10)15-6-4-12-16-9(2)18-19-12/h7-8H,3-6H2,1-2H3,(H2,14,15,17).
What are the key properties of 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 106424446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).