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

C13H11ClN6 — CID 70901793

IUPAC5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
SMILESClc1ccccc1-c1cnnc(NCc2ccn[nH]2)n1
InChIInChI=1S/C13H11ClN6/c14-11-4-2-1-3-10(11)12-8-17-20-13(18-12)15-7-9-5-6-16-19-9/h1-6,8H,7H2,(H,16,19)(H,15,18,20)
InChIKeyQCURODFNCARBOI-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.53
Rot. Bonds4

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

5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 70901793) has the molecular formula C13H11ClN6 and a molecular weight of 286.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID70901793
Molecular FormulaC13H11ClN6
Molecular Weight286.73 g/mol
Exact Mass286.07
IUPAC Name5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
SMILESClc1ccccc1-c1cnnc(NCc2ccn[nH]2)n1
InChIInChI=1S/C13H11ClN6/c14-11-4-2-1-3-10(11)12-8-17-20-13(18-12)15-7-9-5-6-16-19-9/h1-6,8H,7H2,(H,16,19)(H,15,18,20)
InChIKeyQCURODFNCARBOI-UHFFFAOYSA-N
XLogP2.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine (CID 70901793) is 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine is Clc1ccccc1-c1cnnc(NCc2ccn[nH]2)n1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is QCURODFNCARBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6/c14-11-4-2-1-3-10(11)12-8-17-20-13(18-12)15-7-9-5-6-16-19-9/h1-6,8H,7H2,(H,16,19)(H,15,18,20).
What are the key properties of 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine?
5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 286.73 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 70901793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).