1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide

C13H15N5O2 — CID 82201974

IUPAC1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N5O2/c1-8-11(12(14)19)16-17-18(8)9(2)13(20)15-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,14,19)(H,15,20)
InChIKeyCOWRHWCTYWNHRC-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.89
Rot. Bonds4

About 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide

1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide (PubChem CID 82201974) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
PubChem CID82201974
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C13H15N5O2/c1-8-11(12(14)19)16-17-18(8)9(2)13(20)15-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,14,19)(H,15,20)
InChIKeyCOWRHWCTYWNHRC-UHFFFAOYSA-N
XLogP0.89
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 1-(1-anilino-1-oxopropan-2-yl)triazole-4,5-dicarboxylate
CID 50927850
ethyl 1-(1-anilino-1-oxopropan-2-yl)tetrazole-5-carboxylate
CID 79309339
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 82201976
2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide
CID 82202007
N-(4-chlorophenyl)-2-(4-formyl-5-methyltriazol-1-yl)propanamide
CID 82202006
(2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylpropanamide
CID 35529151
2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide
CID 82201985
2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 82202011
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid
CID 62055066
(2R)-2-amino-N-phenylpropanamide
CID 10607114
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018

Frequently Asked Questions

What is the IUPAC name of 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide (CID 82201974) is 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide is Cc1c(C(N)=O)nnn1C(C)C(=O)Nc1ccccc1.
What is the InChIKey of 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide?
The InChIKey is COWRHWCTYWNHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-11(12(14)19)16-17-18(8)9(2)13(20)15-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,14,19)(H,15,20).
What are the key properties of 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide?
1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 82201974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).