N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine

C10H14ClN7 — CID 55124201

IUPACN-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H14ClN7/c1-17(2)7-5-12-9-14-8(11)15-10(16-9)18-6-3-4-13-18/h3-4,6H,5,7H2,1-2H3,(H,12,14,15,16)
InChIKeyLWPUSDMWRCUBBX-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.68
Rot. Bonds5

About N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine

N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 55124201) has the molecular formula C10H14ClN7 and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID55124201
Molecular FormulaC10H14ClN7
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC NameN-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H14ClN7/c1-17(2)7-5-12-9-14-8(11)15-10(16-9)18-6-3-4-13-18/h3-4,6H,5,7H2,1-2H3,(H,12,14,15,16)
InChIKeyLWPUSDMWRCUBBX-UHFFFAOYSA-N
XLogP0.68
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 55124201) is N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LWPUSDMWRCUBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7/c1-17(2)7-5-12-9-14-8(11)15-10(16-9)18-6-3-4-13-18/h3-4,6H,5,7H2,1-2H3,(H,12,14,15,16).
What are the key properties of N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine?
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 267.72 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 55124201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).