3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine

C9H9ClN6 — CID 82237575

IUPAC3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine
SMILESCc1nccc(CNc2cnnc(Cl)n2)n1
InChIInChI=1S/C9H9ClN6/c1-6-11-3-2-7(14-6)4-12-8-5-13-16-9(10)15-8/h2-3,5H,4H2,1H3,(H,12,15,16)
InChIKeyZUQZKONXCPWVSU-UHFFFAOYSA-N
MW236.67 g/mol
LogP1.24
Rot. Bonds3

About 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine

3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine (PubChem CID 82237575) has the molecular formula C9H9ClN6 and a molecular weight of 236.67 g/mol. Its IUPAC name is 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine
PubChem CID82237575
Molecular FormulaC9H9ClN6
Molecular Weight236.67 g/mol
Exact Mass236.06
IUPAC Name3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine
SMILESCc1nccc(CNc2cnnc(Cl)n2)n1
InChIInChI=1S/C9H9ClN6/c1-6-11-3-2-7(14-6)4-12-8-5-13-16-9(10)15-8/h2-3,5H,4H2,1H3,(H,12,15,16)
InChIKeyZUQZKONXCPWVSU-UHFFFAOYSA-N
XLogP1.24
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-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

6-chloro-4-N-methyl-2-N-[(2-methylpyrimidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80813733
5-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 63207972
6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767581
6-methyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 61224152
N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine
CID 106564209
5-chloro-2-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747144
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747499
N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507389
2-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]benzenecarbothioamide
CID 62496023
1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine (CID 82237575) is 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine is Cc1nccc(CNc2cnnc(Cl)n2)n1.
What is the InChIKey of 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine?
The InChIKey is ZUQZKONXCPWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6/c1-6-11-3-2-7(14-6)4-12-8-5-13-16-9(10)15-8/h2-3,5H,4H2,1H3,(H,12,15,16).
What are the key properties of 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine?
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine has a molecular weight of 236.67 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 82237575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).