1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea

C14H23N5O2 — CID 53497988

IUPAC1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea
SMILESCCn1cnnc1CNC(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H23N5O2/c1-2-18-10-16-17-13(18)7-15-14(20)19(12-3-4-12)8-11-5-6-21-9-11/h10-12H,2-9H2,1H3,(H,15,20)
InChIKeyHLIJLPYOROWXQE-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.01
Rot. Bonds6

About 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea

1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea (PubChem CID 53497988) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea
PubChem CID53497988
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea
SMILESCCn1cnnc1CNC(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H23N5O2/c1-2-18-10-16-17-13(18)7-15-14(20)19(12-3-4-12)8-11-5-6-21-9-11/h10-12H,2-9H2,1H3,(H,15,20)
InChIKeyHLIJLPYOROWXQE-UHFFFAOYSA-N
XLogP1.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea 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

1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(tetrahydrofuran-3-ylmethyl)methanamine
CID 50975179
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083696
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71893460
1-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propyl]-3-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]urea
CID 128410511
1-Cyclopropyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)urea
CID 71892945
N-{[1-cyclohexyl-3-(tetrahydrofuran-3-yl)-1H-1,2,4-triazol-5-yl]methyl}urea
CID 74240676
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43703258
N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 46988210
1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(oxolan-3-ylmethyl)urea
CID 53500844
1-[(1-Ethylpyrrolidin-3-yl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53503173
1-Cyclopropyl-1-(oxolan-3-ylmethyl)-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 53517840

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea (CID 53497988) is 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea is CCn1cnnc1CNC(=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea?
The InChIKey is HLIJLPYOROWXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-18-10-16-17-13(18)7-15-14(20)19(12-3-4-12)8-11-5-6-21-9-11/h10-12H,2-9H2,1H3,(H,15,20).
What are the key properties of 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea?
1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea has a molecular weight of 293.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 53497988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).