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

C11H16ClN7 — CID 62863808

IUPAC1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNc1nc(Cl)nc(-n2cccn2)n1)N(C)C
InChIInChI=1S/C11H16ClN7/c1-8(18(2)3)7-13-10-15-9(12)16-11(17-10)19-6-4-5-14-19/h4-6,8H,7H2,1-3H3,(H,13,15,16,17)
InChIKeyHSDHWVYGCKMGJY-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.07
Rot. Bonds5

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

1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 62863808) has the molecular formula C11H16ClN7 and a molecular weight of 281.75 g/mol. Its IUPAC name is 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID62863808
Molecular FormulaC11H16ClN7
Molecular Weight281.75 g/mol
Exact Mass281.12
IUPAC Name1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNc1nc(Cl)nc(-n2cccn2)n1)N(C)C
InChIInChI=1S/C11H16ClN7/c1-8(18(2)3)7-13-10-15-9(12)16-11(17-10)19-6-4-5-14-19/h4-6,8H,7H2,1-3H3,(H,13,15,16,17)
InChIKeyHSDHWVYGCKMGJY-UHFFFAOYSA-N
XLogP1.07
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-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 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 62863808) is 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNc1nc(Cl)nc(-n2cccn2)n1)N(C)C.
What is the InChIKey of 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is HSDHWVYGCKMGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN7/c1-8(18(2)3)7-13-10-15-9(12)16-11(17-10)19-6-4-5-14-19/h4-6,8H,7H2,1-3H3,(H,13,15,16,17).
What are the key properties of 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 281.75 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62863808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).