3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide

C17H16N10O — CID 121022052

IUPAC3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2nccn3cnnc23)C1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H16N10O/c28-17(12-2-1-3-14(8-12)27-11-20-23-24-27)21-13-4-6-25(9-13)15-16-22-19-10-26(16)7-5-18-15/h1-3,5,7-8,10-11,13H,4,6,9H2,(H,21,28)
InChIKeySVKHRXFMGAINCH-UHFFFAOYSA-N
MW376.38 g/mol
LogP0.11
Rot. Bonds4

About 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide

3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide (PubChem CID 121022052) has the molecular formula C17H16N10O and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
PubChem CID121022052
Molecular FormulaC17H16N10O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2nccn3cnnc23)C1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H16N10O/c28-17(12-2-1-3-14(8-12)27-11-20-23-24-27)21-13-4-6-25(9-13)15-16-22-19-10-26(16)7-5-18-15/h1-3,5,7-8,10-11,13H,4,6,9H2,(H,21,28)
InChIKeySVKHRXFMGAINCH-UHFFFAOYSA-N
XLogP0.11
TPSA119.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]imidazole-4-carboxamide
CID 75202556
1-methyl-3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-5-carboxamide
CID 119104878
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 119104873
1-buta-1,3-dien-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 123514712
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
2-benzylsulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]acetamide
CID 119104882
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(tetrazol-1-yl)benzamide
CID 136962362
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide
CID 97243982
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
CID 39952228
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide (CID 121022052) is 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2nccn3cnnc23)C1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is SVKHRXFMGAINCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N10O/c28-17(12-2-1-3-14(8-12)27-11-20-23-24-27)21-13-4-6-25(9-13)15-16-22-19-10-26(16)7-5-18-15/h1-3,5,7-8,10-11,13H,4,6,9H2,(H,21,28).
What are the key properties of 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide?
3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 376.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121022052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).