N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine

C15H16Cl2N6 — CID 75508270

IUPACN-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1CNc1nnc(C)n1C
InChIInChI=1S/C15H16Cl2N6/c1-9-11(8-18-15-20-19-10(2)22(15)3)14(17)23(21-9)13-7-5-4-6-12(13)16/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyXUIYEPUEHHJDDA-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.54
Rot. Bonds4

About N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine

N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine (PubChem CID 75508270) has the molecular formula C15H16Cl2N6 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine
PubChem CID75508270
Molecular FormulaC15H16Cl2N6
Molecular Weight351.24 g/mol
Exact Mass350.08
IUPAC NameN-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1CNc1nnc(C)n1C
InChIInChI=1S/C15H16Cl2N6/c1-9-11(8-18-15-20-19-10(2)22(15)3)14(17)23(21-9)13-7-5-4-6-12(13)16/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyXUIYEPUEHHJDDA-UHFFFAOYSA-N
XLogP3.54
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine (CID 75508270) is N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine is Cc1nn(-c2ccccc2Cl)c(Cl)c1CNc1nnc(C)n1C.
What is the InChIKey of N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is XUIYEPUEHHJDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N6/c1-9-11(8-18-15-20-19-10(2)22(15)3)14(17)23(21-9)13-7-5-4-6-12(13)16/h4-7H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine?
N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 351.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-4,5-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 75508270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).