N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide

C17H22N8O — CID 166434471

IUPACN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide
SMILESN#Cc1cc(C(=O)NC2CCN(c3n[nH]c(N)n3)CC2)n2c1CCCC2
InChIInChI=1S/C17H22N8O/c18-10-11-9-14(25-6-2-1-3-13(11)25)15(26)20-12-4-7-24(8-5-12)17-21-16(19)22-23-17/h9,12H,1-8H2,(H,20,26)(H3,19,21,22,23)
InChIKeyIQQGJEYTBSVHDH-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.80
Rot. Bonds3

About N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide

N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide (PubChem CID 166434471) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide
PubChem CID166434471
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide
SMILESN#Cc1cc(C(=O)NC2CCN(c3n[nH]c(N)n3)CC2)n2c1CCCC2
InChIInChI=1S/C17H22N8O/c18-10-11-9-14(25-6-2-1-3-13(11)25)15(26)20-12-4-7-24(8-5-12)17-21-16(19)22-23-17/h9,12H,1-8H2,(H,20,26)(H3,19,21,22,23)
InChIKeyIQQGJEYTBSVHDH-UHFFFAOYSA-N
XLogP0.80
TPSA128.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide
CID 154783190
beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride
CID 163467523
1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-(2,4,5-trichlorophenyl)urea
CID 118165429
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 166379619
1-cyano-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 146113832
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
CID 112708500
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide
CID 118165381
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276900
3-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;methanol
CID 145267906
3-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62806830
3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277112
3-[4-[[(3,4-dichlorophenyl)methylamino]methyl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;dihydrochloride
CID 122602571

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide (CID 166434471) is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The canonical SMILES for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide is N#Cc1cc(C(=O)NC2CCN(c3n[nH]c(N)n3)CC2)n2c1CCCC2.
What is the InChIKey of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The InChIKey is IQQGJEYTBSVHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c18-10-11-9-14(25-6-2-1-3-13(11)25)15(26)20-12-4-7-24(8-5-12)17-21-16(19)22-23-17/h9,12H,1-8H2,(H,20,26)(H3,19,21,22,23).
What are the key properties of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide?
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide is sourced from PubChem (CID 166434471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).