3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine

C14H13ClN6 — CID 10214933

IUPAC3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
SMILESCCc1cc(Nc2cnnc(-c3cccc(Cl)c3)n2)n[nH]1
InChIInChI=1S/C14H13ClN6/c1-2-11-7-12(20-19-11)17-13-8-16-21-14(18-13)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3,(H2,17,18,19,20,21)
InChIKeyNIXKIYRUEQICKP-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.22
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine

3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine (PubChem CID 10214933) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
PubChem CID10214933
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
SMILESCCc1cc(Nc2cnnc(-c3cccc(Cl)c3)n2)n[nH]1
InChIInChI=1S/C14H13ClN6/c1-2-11-7-12(20-19-11)17-13-8-16-21-14(18-13)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3,(H2,17,18,19,20,21)
InChIKeyNIXKIYRUEQICKP-UHFFFAOYSA-N
XLogP3.22
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
CID 20626296
3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 46398001
4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine
CID 169091811
5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66302245
5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63050054
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823963
1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82569006
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine
CID 68857470

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine (CID 10214933) is 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine is CCc1cc(Nc2cnnc(-c3cccc(Cl)c3)n2)n[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine?
The InChIKey is NIXKIYRUEQICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c1-2-11-7-12(20-19-11)17-13-8-16-21-14(18-13)9-4-3-5-10(15)6-9/h3-8H,2H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine?
3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine has a molecular weight of 300.75 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 10214933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).