(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine

C10H11ClN4O — CID 65362666

IUPAC(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)c1ncn[nH]1
InChIInChI=1S/C10H11ClN4O/c1-16-8-3-2-6(11)4-7(8)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15)
InChIKeyPLWKBOWRBOOYBY-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.51
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine

(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65362666) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65362666
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCOc1ccc(Cl)cc1C(N)c1ncn[nH]1
InChIInChI=1S/C10H11ClN4O/c1-16-8-3-2-6(11)4-7(8)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15)
InChIKeyPLWKBOWRBOOYBY-UHFFFAOYSA-N
XLogP1.51
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine 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

(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 97052988
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 65362666) is (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine is COc1ccc(Cl)cc1C(N)c1ncn[nH]1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is PLWKBOWRBOOYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-16-8-3-2-6(11)4-7(8)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15).
What are the key properties of (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 238.68 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65362666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).