1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid

C10H14N4O3 — CID 82760430

IUPAC1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ncn[nH]1
InChIInChI=1S/C10H14N4O3/c1-10(9(16)17)4-2-3-6(10)13-8(15)7-11-5-12-14-7/h5-6H,2-4H2,1H3,(H,13,15)(H,16,17)(H,11,12,14)
InChIKeyUMLIUYCQQQMBSZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.18
Rot. Bonds3

About 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 82760430) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID82760430
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ncn[nH]1
InChIInChI=1S/C10H14N4O3/c1-10(9(16)17)4-2-3-6(10)13-8(15)7-11-5-12-14-7/h5-6H,2-4H2,1H3,(H,13,15)(H,16,17)(H,11,12,14)
InChIKeyUMLIUYCQQQMBSZ-UHFFFAOYSA-N
XLogP0.18
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid (CID 82760430) is 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1ncn[nH]1.
What is the InChIKey of 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UMLIUYCQQQMBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-10(9(16)17)4-2-3-6(10)13-8(15)7-11-5-12-14-7/h5-6H,2-4H2,1H3,(H,13,15)(H,16,17)(H,11,12,14).
What are the key properties of 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).