4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole

C12H12ClN3O2 — CID 170548734

IUPAC4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole
SMILESClc1ccc(Oc2cn[nH]n2)cc1OCC1CC1
InChIInChI=1S/C12H12ClN3O2/c13-10-4-3-9(18-12-6-14-16-15-12)5-11(10)17-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,14,15,16)
InChIKeyGYWLYVXBUXOBLZ-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.04
Rot. Bonds5

About 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole

4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole (PubChem CID 170548734) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole.

Molecular Properties

Compound Name4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole
PubChem CID170548734
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole
SMILESClc1ccc(Oc2cn[nH]n2)cc1OCC1CC1
InChIInChI=1S/C12H12ClN3O2/c13-10-4-3-9(18-12-6-14-16-15-12)5-11(10)17-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,14,15,16)
InChIKeyGYWLYVXBUXOBLZ-UHFFFAOYSA-N
XLogP3.04
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole 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-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117326029
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
6-(4-chloro-3-fluorophenoxy)-2-(cyclopropylmethoxy)pyridin-3-amine
CID 82717728
4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane
CID 155795557
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117445254
3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449060
2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine
CID 68759944
1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
CID 91092196
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine
CID 118344313

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole?
The IUPAC name of 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole (CID 170548734) is 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole.
What is the SMILES notation for 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole?
The canonical SMILES for 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole is Clc1ccc(Oc2cn[nH]n2)cc1OCC1CC1.
What is the InChIKey of 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole?
The InChIKey is GYWLYVXBUXOBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-10-4-3-9(18-12-6-14-16-15-12)5-11(10)17-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,14,15,16).
What are the key properties of 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole?
4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole has a molecular weight of 265.70 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(cyclopropylmethoxy)phenoxy]-2H-triazole is sourced from PubChem (CID 170548734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).