5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide

C19H17N9O2 — CID 4023772

IUPAC5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide
SMILESCc1ccccc1-c1nnn(CC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)n1
InChIInChI=1S/C19H17N9O2/c1-12-7-5-6-10-14(12)18-22-26-27(24-18)11-15(29)21-19-16(17(20)30)23-28(25-19)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,20,30)(H,21,25,29)
InChIKeyHMNAASWQGJTNHF-UHFFFAOYSA-N
MW403.41 g/mol
LogP0.97
Rot. Bonds6

About 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide

5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide (PubChem CID 4023772) has the molecular formula C19H17N9O2 and a molecular weight of 403.41 g/mol. Its IUPAC name is 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide
PubChem CID4023772
Molecular FormulaC19H17N9O2
Molecular Weight403.41 g/mol
Exact Mass403.15
IUPAC Name5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide
SMILESCc1ccccc1-c1nnn(CC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)n1
InChIInChI=1S/C19H17N9O2/c1-12-7-5-6-10-14(12)18-22-26-27(24-18)11-15(29)21-19-16(17(20)30)23-28(25-19)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,20,30)(H,21,25,29)
InChIKeyHMNAASWQGJTNHF-UHFFFAOYSA-N
XLogP0.97
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(4-butan-2-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 16508624
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769
N-(4-chloro-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634787
N-(2-fluoro-4-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7602043
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827
N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350235
N-(2-chloro-4-fluorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4798908
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7519252
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide?
The IUPAC name of 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide (CID 4023772) is 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide is Cc1ccccc1-c1nnn(CC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)n1.
What is the InChIKey of 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide?
The InChIKey is HMNAASWQGJTNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9O2/c1-12-7-5-6-10-14(12)18-22-26-27(24-18)11-15(29)21-19-16(17(20)30)23-28(25-19)13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,20,30)(H,21,25,29).
What are the key properties of 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide?
5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 4023772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).