4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine

C6H6ClN7 — CID 130521306

IUPAC4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine
SMILESCn1cc(-c2nc(N)nc(Cl)n2)nn1
InChIInChI=1S/C6H6ClN7/c1-14-2-3(12-13-14)4-9-5(7)11-6(8)10-4/h2H,1H3,(H2,8,9,10,11)
InChIKeyOFLAOVYQVDCTKX-UHFFFAOYSA-N
MW211.62 g/mol
LogP-0.10
Rot. Bonds1

About 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine

4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine (PubChem CID 130521306) has the molecular formula C6H6ClN7 and a molecular weight of 211.62 g/mol. Its IUPAC name is 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine
PubChem CID130521306
Molecular FormulaC6H6ClN7
Molecular Weight211.62 g/mol
Exact Mass211.04
IUPAC Name4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine
SMILESCn1cc(-c2nc(N)nc(Cl)n2)nn1
InChIInChI=1S/C6H6ClN7/c1-14-2-3(12-13-14)4-9-5(7)11-6(8)10-4/h2H,1H3,(H2,8,9,10,11)
InChIKeyOFLAOVYQVDCTKX-UHFFFAOYSA-N
XLogP-0.10
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine
CID 107976184
3-chloro-5-(1-methyltriazol-4-yl)aniline
CID 165401729
3-chloro-5-(1-methyltriazol-4-yl)-1,2,4-thiadiazole
CID 130521815
5-chloro-6-(1-methyltriazol-4-yl)pyrimidin-4-amine
CID 130602628
3-chloro-4-(1-methyltriazol-4-yl)aniline
CID 130602625
2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid
CID 165460315
4-chloro-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-amine
CID 165353239
5-(1-methyltriazol-4-yl)pyridin-3-amine
CID 130602643
4-chloro-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-amine
CID 83240122
4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 83240805
3-(1-methyltriazol-4-yl)aniline
CID 89194018
1-methyl-4-phenyltriazole
CID 11309663

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine (CID 130521306) is 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine is Cn1cc(-c2nc(N)nc(Cl)n2)nn1.
What is the InChIKey of 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is OFLAOVYQVDCTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN7/c1-14-2-3(12-13-14)4-9-5(7)11-6(8)10-4/h2H,1H3,(H2,8,9,10,11).
What are the key properties of 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 211.62 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methyltriazol-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 130521306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).