3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine

C17H31N5 — CID 29188695

IUPAC3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C17H31N5/c1-5-20(6-2)8-7-9-21-10-12-22(13-11-21)17-16(4)18-14-15(3)19-17/h14H,5-13H2,1-4H3
InChIKeyMRVRHSQJSYVULR-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.95
Rot. Bonds7

About 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine

3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine (PubChem CID 29188695) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine
PubChem CID29188695
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C17H31N5/c1-5-20(6-2)8-7-9-21-10-12-22(13-11-21)17-16(4)18-14-15(3)19-17/h14H,5-13H2,1-4H3
InChIKeyMRVRHSQJSYVULR-UHFFFAOYSA-N
XLogP1.95
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethyl]azepane
CID 171910200
3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91834806
4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 60871033
methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
CID 115538512
3-(4-tert-butylpiperazin-1-yl)-2,5-dimethylpyrazine
CID 59776855
2,5-dimethyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrazine
CID 138008520
3-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 133471524
2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 91842389
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139
3-[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-2,5-dimethylpyrazine
CID 124846370
N,N-diethyl-3-(2-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-amine
CID 154285406
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine (CID 29188695) is 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine is CCN(CC)CCCN1CCN(c2nc(C)cnc2C)CC1.
What is the InChIKey of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine?
The InChIKey is MRVRHSQJSYVULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-5-20(6-2)8-7-9-21-10-12-22(13-11-21)17-16(4)18-14-15(3)19-17/h14H,5-13H2,1-4H3.
What are the key properties of 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine?
3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 29188695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).