1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide

C17H22N10O — CID 96582124

IUPAC1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(CC[C@@H]2CCCCN2)nn1
InChIInChI=1S/C17H22N10O/c28-17(14-11-27(26-23-14)8-4-12-3-1-2-5-19-12)21-10-15-22-16(25-24-15)13-9-18-6-7-20-13/h6-7,9,11-12,19H,1-5,8,10H2,(H,21,28)(H,22,24,25)/t12-/m0/s1
InChIKeyNASZSEQUPGENQY-LBPRGKRZSA-N
MW382.43 g/mol
LogP0.32
Rot. Bonds7

About 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide

1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide (PubChem CID 96582124) has the molecular formula C17H22N10O and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
PubChem CID96582124
Molecular FormulaC17H22N10O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC Name1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(CC[C@@H]2CCCCN2)nn1
InChIInChI=1S/C17H22N10O/c28-17(14-11-27(26-23-14)8-4-12-3-1-2-5-19-12)21-10-15-22-16(25-24-15)13-9-18-6-7-20-13/h6-7,9,11-12,19H,1-5,8,10H2,(H,21,28)(H,22,24,25)/t12-/m0/s1
InChIKeyNASZSEQUPGENQY-LBPRGKRZSA-N
XLogP0.32
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
1-(2-piperidin-2-ylethyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)triazole-4-carboxamide
CID 70727559
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146047046
2-(oxan-2-ylmethoxy)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 86284175
2-[[(2S)-oxan-2-yl]methoxy]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 99972011
5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide
CID 90650267
N-[3-chloro-4-(ethylcarbamoyl)phenyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide;hydrochloride
CID 154912901
[1-(2-piperidin-2-ylethyl)triazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 70717153
1-(4-aminocyclohexyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 70786329

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide (CID 96582124) is 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide is O=C(NCc1nc(-c2cnccn2)n[nH]1)c1cn(CC[C@@H]2CCCCN2)nn1.
What is the InChIKey of 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is NASZSEQUPGENQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N10O/c28-17(14-11-27(26-23-14)8-4-12-3-1-2-5-19-12)21-10-15-22-16(25-24-15)13-9-18-6-7-20-13/h6-7,9,11-12,19H,1-5,8,10H2,(H,21,28)(H,22,24,25)/t12-/m0/s1.
What are the key properties of 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide?
1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-piperidin-2-yl]ethyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 96582124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).