2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C12H16N4O3 — CID 54868276

IUPAC2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)c1nnc2n1CCC2
InChIInChI=1S/C12H16N4O3/c1-6(10-15-14-9-3-2-4-16(9)10)13-11(17)7-5-8(7)12(18)19/h6-8H,2-5H2,1H3,(H,13,17)(H,18,19)
InChIKeyUSLVCWZPAISOCK-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.12
Rot. Bonds4

About 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54868276) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54868276
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)c1nnc2n1CCC2
InChIInChI=1S/C12H16N4O3/c1-6(10-15-14-9-3-2-4-16(9)10)13-11(17)7-5-8(7)12(18)19/h6-8H,2-5H2,1H3,(H,13,17)(H,18,19)
InChIKeyUSLVCWZPAISOCK-UHFFFAOYSA-N
XLogP0.12
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867814
4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]-4-oxobutanoic acid
CID 54868264
5-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 54868275
2-[6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54875720
5-[6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
CID 54875744
3-Methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 55156178
2-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55201524
6-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 60940365
2-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60941169
2-[(4-Methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 61003986
5-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935080
5-[6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl(methyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935090

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 54868276) is 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is CC(NC(=O)C1CC1C(=O)O)c1nnc2n1CCC2.
What is the InChIKey of 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is USLVCWZPAISOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-6(10-15-14-9-3-2-4-16(9)10)13-11(17)7-5-8(7)12(18)19/h6-8H,2-5H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54868276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).