1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine

C12H15ClN4O — CID 126648825

IUPAC1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine
SMILESNC1=C(N)N(OCc2ccccc2Cl)C(N)C=C1
InChIInChI=1S/C12H15ClN4O/c13-9-4-2-1-3-8(9)7-18-17-11(15)6-5-10(14)12(17)16/h1-6,11H,7,14-16H2
InChIKeyHMSBTGIBEBYWPF-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.01
Rot. Bonds3

About 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine

1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine (PubChem CID 126648825) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine
PubChem CID126648825
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine
SMILESNC1=C(N)N(OCc2ccccc2Cl)C(N)C=C1
InChIInChI=1S/C12H15ClN4O/c13-9-4-2-1-3-8(9)7-18-17-11(15)6-5-10(14)12(17)16/h1-6,11H,7,14-16H2
InChIKeyHMSBTGIBEBYWPF-UHFFFAOYSA-N
XLogP1.01
TPSA90.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine 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 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine (CID 126648825) is 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine is NC1=C(N)N(OCc2ccccc2Cl)C(N)C=C1.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine?
The InChIKey is HMSBTGIBEBYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-9-4-2-1-3-8(9)7-18-17-11(15)6-5-10(14)12(17)16/h1-6,11H,7,14-16H2.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine?
1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine has a molecular weight of 266.73 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine is sourced from PubChem (CID 126648825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).