3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine

C14H13ClN6 — CID 20626296

IUPAC3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
SMILESCc1cc(Nc2cnnc(-c3ccc(Cl)c(C)c3)n2)n[nH]1
InChIInChI=1S/C14H13ClN6/c1-8-5-10(3-4-11(8)15)14-18-13(7-16-21-14)17-12-6-9(2)19-20-12/h3-7H,1-2H3,(H2,17,18,19,20,21)
InChIKeyQTGLVOCYBOGXJT-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.28
Rot. Bonds3

About 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine

3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine (PubChem CID 20626296) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
PubChem CID20626296
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
SMILESCc1cc(Nc2cnnc(-c3ccc(Cl)c(C)c3)n2)n[nH]1
InChIInChI=1S/C14H13ClN6/c1-8-5-10(3-4-11(8)15)14-18-13(7-16-21-14)17-12-6-9(2)19-20-12/h3-7H,1-2H3,(H2,17,18,19,20,21)
InChIKeyQTGLVOCYBOGXJT-UHFFFAOYSA-N
XLogP3.28
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
CID 10214933
3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 164830024
7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10155985
2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 25125406
5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 146645356
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 154684827
2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 11983545
2-bromo-4-(4-chloro-3-methylphenyl)-5-propan-2-yl-1,3-thiazole
CID 167558473
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine
CID 87622938
4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenethiol
CID 70835638
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)azetidin-1-yl]pyrimidin-4-amine
CID 11852277

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine (CID 20626296) is 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine is Cc1cc(Nc2cnnc(-c3ccc(Cl)c(C)c3)n2)n[nH]1.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine?
The InChIKey is QTGLVOCYBOGXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-8-5-10(3-4-11(8)15)14-18-13(7-16-21-14)17-12-6-9(2)19-20-12/h3-7H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine?
3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine has a molecular weight of 300.75 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 20626296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).