2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid

C10H15N5O3 — CID 64516941

IUPAC2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H15N5O3/c1-14(4-8-11-6-12-13-8)10(18)15(5-9(16)17)7-2-3-7/h6-7H,2-5H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyHQFDGLGUMOVETF-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.09
Rot. Bonds5

About 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 64516941) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID64516941
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(Cc1ncn[nH]1)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C10H15N5O3/c1-14(4-8-11-6-12-13-8)10(18)15(5-9(16)17)7-2-3-7/h6-7H,2-5H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyHQFDGLGUMOVETF-UHFFFAOYSA-N
XLogP-0.09
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic 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-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519851
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
CID 64519833
2-cyclopropyl-3-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 64519069
4-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64519264
(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 81141505
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561965
3-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64702082
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
(2R,3R)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479147

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid (CID 64516941) is 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid is CN(Cc1ncn[nH]1)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is HQFDGLGUMOVETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-14(4-8-11-6-12-13-8)10(18)15(5-9(16)17)7-2-3-7/h6-7H,2-5H2,1H3,(H,16,17)(H,11,12,13).
What are the key properties of 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 64516941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).