4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H14ClN7 — CID 79778687

IUPAC4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCn1ccc(Nc2nc(Cl)nc(N3CCCC3)n2)n1
InChIInChI=1S/C11H14ClN7/c1-18-7-4-8(17-18)13-10-14-9(12)15-11(16-10)19-5-2-3-6-19/h4,7H,2-3,5-6H2,1H3,(H,13,14,15,16,17)
InChIKeyUOXMXPZDURRPLF-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.60
Rot. Bonds3

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

4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 79778687) has the molecular formula C11H14ClN7 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID79778687
Molecular FormulaC11H14ClN7
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC Name4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCn1ccc(Nc2nc(Cl)nc(N3CCCC3)n2)n1
InChIInChI=1S/C11H14ClN7/c1-18-7-4-8(17-18)13-10-14-9(12)15-11(16-10)19-5-2-3-6-19/h4,7H,2-3,5-6H2,1H3,(H,13,14,15,16,17)
InChIKeyUOXMXPZDURRPLF-UHFFFAOYSA-N
XLogP1.60
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine 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 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 79778687) is 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Cn1ccc(Nc2nc(Cl)nc(N3CCCC3)n2)n1.
What is the InChIKey of 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UOXMXPZDURRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7/c1-18-7-4-8(17-18)13-10-14-9(12)15-11(16-10)19-5-2-3-6-19/h4,7H,2-3,5-6H2,1H3,(H,13,14,15,16,17).
What are the key properties of 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 279.73 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79778687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).