3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile

C15H20N8 — CID 29151773

IUPAC3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCNCc1cn(CC2CCN(c3nccnc3C#N)CC2)nn1
InChIInChI=1S/C15H20N8/c1-17-9-13-11-23(21-20-13)10-12-2-6-22(7-3-12)15-14(8-16)18-4-5-19-15/h4-5,11-12,17H,2-3,6-7,9-10H2,1H3
InChIKeyAXPMXLZQHRCPAT-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.58
Rot. Bonds5

About 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 29151773) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID29151773
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCNCc1cn(CC2CCN(c3nccnc3C#N)CC2)nn1
InChIInChI=1S/C15H20N8/c1-17-9-13-11-23(21-20-13)10-12-2-6-22(7-3-12)15-14(8-16)18-4-5-19-15/h4-5,11-12,17H,2-3,6-7,9-10H2,1H3
InChIKeyAXPMXLZQHRCPAT-UHFFFAOYSA-N
XLogP0.58
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 62684699
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 121110119
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126944336
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 45221294
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
1-[1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]-N-methylmethanamine
CID 63979109
1-[1-[(3,3-difluorocyclohexyl)methyl]triazol-4-yl]-N-methylmethanamine
CID 114225070

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 29151773) is 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile is CNCc1cn(CC2CCN(c3nccnc3C#N)CC2)nn1.
What is the InChIKey of 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is AXPMXLZQHRCPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-17-9-13-11-23(21-20-13)10-12-2-6-22(7-3-12)15-14(8-16)18-4-5-19-15/h4-5,11-12,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 312.38 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 29151773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).