4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H7Cl3N6 — CID 62868809

IUPAC4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2cccc(Cl)c2Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H7Cl3N6/c13-7-3-1-4-8(9(7)14)17-11-18-10(15)19-12(20-11)21-6-2-5-16-21/h1-6H,(H,17,18,19,20)
InChIKeyMKHAPAVDEKSUKV-UHFFFAOYSA-N
MW341.59 g/mol
LogP3.76
Rot. Bonds3

About 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62868809) has the molecular formula C12H7Cl3N6 and a molecular weight of 341.59 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62868809
Molecular FormulaC12H7Cl3N6
Molecular Weight341.59 g/mol
Exact Mass339.98
IUPAC Name4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2cccc(Cl)c2Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H7Cl3N6/c13-7-3-1-4-8(9(7)14)17-11-18-10(15)19-12(20-11)21-6-2-5-16-21/h1-6H,(H,17,18,19,20)
InChIKeyMKHAPAVDEKSUKV-UHFFFAOYSA-N
XLogP3.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868993
4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637029
4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869686
N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637186
N-(2-bromo-4-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868310
4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
CID 66355031
N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869497
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
N-(2,3-dichlorophenyl)-2H-tetrazol-5-amine
CID 69263868
4-chloro-6-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62864902
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62868809) is 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2cccc(Cl)c2Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is MKHAPAVDEKSUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N6/c13-7-3-1-4-8(9(7)14)17-11-18-10(15)19-12(20-11)21-6-2-5-16-21/h1-6H,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 341.59 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).