5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol

C16H20ClN5O — CID 170156002

IUPAC5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1cc(Cl)cc(O)c1-c1cnc(NC2CCCN(C)C2)nn1
InChIInChI=1S/C16H20ClN5O/c1-10-6-11(17)7-14(23)15(10)13-8-18-16(21-20-13)19-12-4-3-5-22(2)9-12/h6-8,12,23H,3-5,9H2,1-2H3,(H,18,19,21)
InChIKeyQBKRLHQFDXUBLP-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol

5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 170156002) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID170156002
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1cc(Cl)cc(O)c1-c1cnc(NC2CCCN(C)C2)nn1
InChIInChI=1S/C16H20ClN5O/c1-10-6-11(17)7-14(23)15(10)13-8-18-16(21-20-13)19-12-4-3-5-22(2)9-12/h6-8,12,23H,3-5,9H2,1-2H3,(H,18,19,21)
InChIKeyQBKRLHQFDXUBLP-UHFFFAOYSA-N
XLogP2.71
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol 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 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 170156002) is 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol is Cc1cc(Cl)cc(O)c1-c1cnc(NC2CCCN(C)C2)nn1.
What is the InChIKey of 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is QBKRLHQFDXUBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-10-6-11(17)7-14(23)15(10)13-8-18-16(21-20-13)19-12-4-3-5-22(2)9-12/h6-8,12,23H,3-5,9H2,1-2H3,(H,18,19,21).
What are the key properties of 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 333.82 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 170156002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).