N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide

C14H17N9O — CID 166379619

IUPACN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESNc1nc(N2CCC(NC(=O)c3cn4ccncc4n3)CC2)n[nH]1
InChIInChI=1S/C14H17N9O/c15-13-19-14(21-20-13)22-4-1-9(2-5-22)17-12(24)10-8-23-6-3-16-7-11(23)18-10/h3,6-9H,1-2,4-5H2,(H,17,24)(H3,15,19,20,21)
InChIKeyYZDBMUZIQNISQO-UHFFFAOYSA-N
MW327.35 g/mol
LogP-0.17
Rot. Bonds3

About N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide

N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 166379619) has the molecular formula C14H17N9O and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID166379619
Molecular FormulaC14H17N9O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESNc1nc(N2CCC(NC(=O)c3cn4ccncc4n3)CC2)n[nH]1
InChIInChI=1S/C14H17N9O/c15-13-19-14(21-20-13)22-4-1-9(2-5-22)17-12(24)10-8-23-6-3-16-7-11(23)18-10/h3,6-9H,1-2,4-5H2,(H,17,24)(H3,15,19,20,21)
InChIKeyYZDBMUZIQNISQO-UHFFFAOYSA-N
XLogP-0.17
TPSA130.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
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
3-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62806830
N-phenylimidazo[1,2-a]pyrazine-2-carboxamide
CID 140867196
N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704
6-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrazine-3-carboxamide
CID 118792476
N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172901024
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-(4-chlorophenyl)methanesulfonamide
CID 118165381
N-[(2-chlorophenyl)methyl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 53014558

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide (CID 166379619) is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide is Nc1nc(N2CCC(NC(=O)c3cn4ccncc4n3)CC2)n[nH]1.
What is the InChIKey of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is YZDBMUZIQNISQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9O/c15-13-19-14(21-20-13)22-4-1-9(2-5-22)17-12(24)10-8-23-6-3-16-7-11(23)18-10/h3,6-9H,1-2,4-5H2,(H,17,24)(H3,15,19,20,21).
What are the key properties of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide?
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 327.35 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 8 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]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 166379619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).