(6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C17H19N7O2 — CID 154582361

IUPAC(6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)[C@H]1Cn2nnc(C(=O)NCc3nc4ccccc4[nH]3)c2C(=O)N1
InChIInChI=1S/C17H19N7O2/c1-9(2)12-8-24-15(17(26)21-12)14(22-23-24)16(25)18-7-13-19-10-5-3-4-6-11(10)20-13/h3-6,9,12H,7-8H2,1-2H3,(H,18,25)(H,19,20)(H,21,26)/t12-/m1/s1
InChIKeyXLTCZIVFDINDRB-GFCCVEGCSA-N
MW353.39 g/mol
LogP0.85
Rot. Bonds4

About (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide

(6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 154582361) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID154582361
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name(6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)[C@H]1Cn2nnc(C(=O)NCc3nc4ccccc4[nH]3)c2C(=O)N1
InChIInChI=1S/C17H19N7O2/c1-9(2)12-8-24-15(17(26)21-12)14(22-23-24)16(25)18-7-13-19-10-5-3-4-6-11(10)20-13/h3-6,9,12H,7-8H2,1-2H3,(H,18,25)(H,19,20)(H,21,26)/t12-/m1/s1
InChIKeyXLTCZIVFDINDRB-GFCCVEGCSA-N
XLogP0.85
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-N-[3-[benzyl(methyl)amino]propyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154580289
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51143941
N-(1H-benzimidazol-2-ylmethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 18105049
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71829009
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
CID 71937473
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
CID 106509697
N-(1H-benzimidazol-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 71829427
N-(1H-benzimidazol-2-ylmethyl)-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238018
N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 78991690
2-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid
CID 154427814

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 154582361) is (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is CC(C)[C@H]1Cn2nnc(C(=O)NCc3nc4ccccc4[nH]3)c2C(=O)N1.
What is the InChIKey of (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is XLTCZIVFDINDRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-9(2)12-8-24-15(17(26)21-12)14(22-23-24)16(25)18-7-13-19-10-5-3-4-6-11(10)20-13/h3-6,9,12H,7-8H2,1-2H3,(H,18,25)(H,19,20)(H,21,26)/t12-/m1/s1.
What are the key properties of (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
(6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(1H-benzimidazol-2-ylmethyl)-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 154582361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).