1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide

C18H26N8O — CID 98273747

IUPAC1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)nn2)CC1
InChIInChI=1S/C18H26N8O/c19-13-3-5-15(6-4-13)26-12-16(23-24-26)18(27)22-14-2-1-9-25(11-14)17-10-20-7-8-21-17/h7-8,10,12-15H,1-6,9,11,19H2,(H,22,27)/t13?,14-,15?/m0/s1
InChIKeyFBXXRTAJUFOXGX-SLTAFYQDSA-N
MW370.46 g/mol
LogP0.91
Rot. Bonds4

About 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide (PubChem CID 98273747) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide
PubChem CID98273747
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)nn2)CC1
InChIInChI=1S/C18H26N8O/c19-13-3-5-15(6-4-13)26-12-16(23-24-26)18(27)22-14-2-1-9-25(11-14)17-10-20-7-8-21-17/h7-8,10,12-15H,1-6,9,11,19H2,(H,22,27)/t13?,14-,15?/m0/s1
InChIKeyFBXXRTAJUFOXGX-SLTAFYQDSA-N
XLogP0.91
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide
CID 70768511
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 99930841
5-(2-methylpropyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 91838367
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073
N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
CID 95219826

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide (CID 98273747) is 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide is NC1CCC(n2cc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)nn2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide?
The InChIKey is FBXXRTAJUFOXGX-SLTAFYQDSA-N. The full InChI is InChI=1S/C18H26N8O/c19-13-3-5-15(6-4-13)26-12-16(23-24-26)18(27)22-14-2-1-9-25(11-14)17-10-20-7-8-21-17/h7-8,10,12-15H,1-6,9,11,19H2,(H,22,27)/t13?,14-,15?/m0/s1.
What are the key properties of 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 98273747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).