1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid

C12H18N4O3 — CID 62055066

IUPAC1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C12H18N4O3/c1-7-10(12(18)19)14-15-16(7)8(2)11(17)13-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyHBDZIJGUTSFIOL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.90
Rot. Bonds4

About 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid

1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid (PubChem CID 62055066) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid
PubChem CID62055066
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C12H18N4O3/c1-7-10(12(18)19)14-15-16(7)8(2)11(17)13-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyHBDZIJGUTSFIOL-UHFFFAOYSA-N
XLogP0.90
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]triazole-4-carboxylic acid
CID 62056288
1-[2-(Butylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82202438
1-[2-(2-Methylpropylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82202439
1-[2-(Butan-2-ylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82202440
1-[2-(Methylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82211226
1-[2-Oxo-2-(propylamino)ethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 82211333
1-[2-[Butyl(methyl)amino]-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 94942573
1-[2-(Cyclopentylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 94942576
1-[2-(1-Methoxypropan-2-ylamino)-2-oxoethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642680
1-[1-(2-Methoxyethylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642682
1-[1-(Methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642685
1-[1-(Butylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642691

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid?
The IUPAC name of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid (CID 62055066) is 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid is Cc1c(C(=O)O)nnn1C(C)C(=O)NC1CCCC1.
What is the InChIKey of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid?
The InChIKey is HBDZIJGUTSFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-10(12(18)19)14-15-16(7)8(2)11(17)13-9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid?
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylic acid is sourced from PubChem (CID 62055066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).