methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate

C10H15N3O2 — CID 50974964

IUPACmethyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate
SMILESCOC(=O)CCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H15N3O2/c1-15-9(14)4-2-3-8-11-10(13-12-8)7-5-6-7/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyLEOBBQVNLYEUCQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.18
Rot. Bonds5

About methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate

methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate (PubChem CID 50974964) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate
PubChem CID50974964
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate
SMILESCOC(=O)CCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H15N3O2/c1-15-9(14)4-2-3-8-11-10(13-12-8)7-5-6-7/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyLEOBBQVNLYEUCQ-UHFFFAOYSA-N
XLogP1.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate 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-chloro-N-[3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 146085891
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 61338730
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine
CID 61338146
3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
CID 61337738
4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82463437
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
(2,4,6-trimethylcyclohexyl) 2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetate
CID 18739466
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5,5-dimethyloxolane-2-carboxamide
CID 128592567
3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 65333477
3-[3-(1,1-dioxothiolan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 115337453
3-cyclopentyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazole
CID 112602957
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate?
The IUPAC name of methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate (CID 50974964) is methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate.
What is the SMILES notation for methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate?
The canonical SMILES for methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate is COC(=O)CCCc1nc(C2CC2)n[nH]1.
What is the InChIKey of methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate?
The InChIKey is LEOBBQVNLYEUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-9(14)4-2-3-8-11-10(13-12-8)7-5-6-7/h7H,2-6H2,1H3,(H,11,12,13).
What are the key properties of methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate?
methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate has a molecular weight of 209.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate is sourced from PubChem (CID 50974964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).