3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea

C13H23N5O — CID 86801824

IUPAC3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea
SMILESCCN(C(=O)NCc1nnc(C)n1C1CC1)C(C)C
InChIInChI=1S/C13H23N5O/c1-5-17(9(2)3)13(19)14-8-12-16-15-10(4)18(12)11-6-7-11/h9,11H,5-8H2,1-4H3,(H,14,19)
InChIKeyQIILHRQNDGWCOF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds5

About 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea

3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea (PubChem CID 86801824) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea
PubChem CID86801824
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea
SMILESCCN(C(=O)NCc1nnc(C)n1C1CC1)C(C)C
InChIInChI=1S/C13H23N5O/c1-5-17(9(2)3)13(19)14-8-12-16-15-10(4)18(12)11-6-7-11/h9,11H,5-8H2,1-4H3,(H,14,19)
InChIKeyQIILHRQNDGWCOF-UHFFFAOYSA-N
XLogP1.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea?
The IUPAC name of 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea (CID 86801824) is 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea.
What is the SMILES notation for 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea?
The canonical SMILES for 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea is CCN(C(=O)NCc1nnc(C)n1C1CC1)C(C)C.
What is the InChIKey of 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea?
The InChIKey is QIILHRQNDGWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-17(9(2)3)13(19)14-8-12-16-15-10(4)18(12)11-6-7-11/h9,11H,5-8H2,1-4H3,(H,14,19).
What are the key properties of 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea?
3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea has a molecular weight of 265.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea is sourced from PubChem (CID 86801824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).