2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine

C13H18ClN7 — CID 114539087

IUPAC2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
SMILESCC1CN(c2nc(Cl)nc(-n3ccnc3)n2)CC(C)N1C
InChIInChI=1S/C13H18ClN7/c1-9-6-21(7-10(2)19(9)3)13-17-11(14)16-12(18-13)20-5-4-15-8-20/h4-5,8-10H,6-7H2,1-3H3
InChIKeyPZNHGURSKGKYMQ-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.24
Rot. Bonds2

About 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine

2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 114539087) has the molecular formula C13H18ClN7 and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
PubChem CID114539087
Molecular FormulaC13H18ClN7
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
SMILESCC1CN(c2nc(Cl)nc(-n3ccnc3)n2)CC(C)N1C
InChIInChI=1S/C13H18ClN7/c1-9-6-21(7-10(2)19(9)3)13-17-11(14)16-12(18-13)20-5-4-15-8-20/h4-5,8-10H,6-7H2,1-3H3
InChIKeyPZNHGURSKGKYMQ-UHFFFAOYSA-N
XLogP1.24
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine 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 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine (CID 114539087) is 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine is CC1CN(c2nc(Cl)nc(-n3ccnc3)n2)CC(C)N1C.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is PZNHGURSKGKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7/c1-9-6-21(7-10(2)19(9)3)13-17-11(14)16-12(18-13)20-5-4-15-8-20/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 307.79 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 114539087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).