1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea

C13H16N6O — CID 47199011

IUPAC1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
SMILESO=C(Nc1cccc(-n2cnnn2)c1)NC1CCCC1
InChIInChI=1S/C13H16N6O/c20-13(15-10-4-1-2-5-10)16-11-6-3-7-12(8-11)19-9-14-17-18-19/h3,6-10H,1-2,4-5H2,(H2,15,16,20)
InChIKeyGRZLKGQAUVBMMH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.73
Rot. Bonds3

About 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea

1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea (PubChem CID 47199011) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
PubChem CID47199011
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
SMILESO=C(Nc1cccc(-n2cnnn2)c1)NC1CCCC1
InChIInChI=1S/C13H16N6O/c20-13(15-10-4-1-2-5-10)16-11-6-3-7-12(8-11)19-9-14-17-18-19/h3,6-10H,1-2,4-5H2,(H2,15,16,20)
InChIKeyGRZLKGQAUVBMMH-UHFFFAOYSA-N
XLogP1.73
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]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

N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
N-[3-(tetrazol-1-yl)phenyl]thian-3-amine
CID 55129735
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
4-[[(2S)-oxolan-2-yl]methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8895411

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea (CID 47199011) is 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea is O=C(Nc1cccc(-n2cnnn2)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea?
The InChIKey is GRZLKGQAUVBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(15-10-4-1-2-5-10)16-11-6-3-7-12(8-11)19-9-14-17-18-19/h3,6-10H,1-2,4-5H2,(H2,15,16,20).
What are the key properties of 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea?
1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea has a molecular weight of 272.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 47199011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).