4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine

C11H9ClN6 — CID 106193133

IUPAC4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine
SMILESClc1nnc(NCc2ncn[nH]2)c2ccccc12
InChIInChI=1S/C11H9ClN6/c12-10-7-3-1-2-4-8(7)11(18-17-10)13-5-9-14-6-15-16-9/h1-4,6H,5H2,(H,13,18)(H,14,15,16)
InChIKeyOZLQOLLMZQBCME-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.01
Rot. Bonds3

About 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine

4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine (PubChem CID 106193133) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine
PubChem CID106193133
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine
SMILESClc1nnc(NCc2ncn[nH]2)c2ccccc12
InChIInChI=1S/C11H9ClN6/c12-10-7-3-1-2-4-8(7)11(18-17-10)13-5-9-14-6-15-16-9/h1-4,6H,5H2,(H,13,18)(H,14,15,16)
InChIKeyOZLQOLLMZQBCME-UHFFFAOYSA-N
XLogP2.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine 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-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
CID 106193165
4-chloro-N-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 114111931
4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 60723090
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
6-chloro-5-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193149
4-chloro-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-5-carbaldehyde
CID 106193137
N-but-2-ynyl-4-chlorophthalazin-1-amine
CID 106195800
2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193136
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine
CID 106194292
N-(1H-1,2,4-triazol-5-ylmethyl)naphthalen-2-amine
CID 62022406
4-[(4-chlorophthalazin-1-yl)amino]butanamide
CID 62141912
N-[3-(1H-1,2,4-triazol-5-yl)propyl]phthalazin-1-amine
CID 64532036

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine (CID 106193133) is 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine is Clc1nnc(NCc2ncn[nH]2)c2ccccc12.
What is the InChIKey of 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine?
The InChIKey is OZLQOLLMZQBCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-10-7-3-1-2-4-8(7)11(18-17-10)13-5-9-14-6-15-16-9/h1-4,6H,5H2,(H,13,18)(H,14,15,16).
What are the key properties of 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine?
4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine has a molecular weight of 260.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 106193133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).