3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one

C12H17N5O2 — CID 155205874

IUPAC3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one
SMILESCc1cnc2c(=O)n(CC3(O)CCNCC3)cnn12
InChIInChI=1S/C12H17N5O2/c1-9-6-14-10-11(18)16(8-15-17(9)10)7-12(19)2-4-13-5-3-12/h6,8,13,19H,2-5,7H2,1H3
InChIKeyZZXOLFOPZKUDLX-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.69
Rot. Bonds2

About 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one

3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 155205874) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID155205874
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one
SMILESCc1cnc2c(=O)n(CC3(O)CCNCC3)cnn12
InChIInChI=1S/C12H17N5O2/c1-9-6-14-10-11(18)16(8-15-17(9)10)7-12(19)2-4-13-5-3-12/h6,8,13,19H,2-5,7H2,1H3
InChIKeyZZXOLFOPZKUDLX-UHFFFAOYSA-N
XLogP-0.69
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one 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 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one (CID 155205874) is 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one is Cc1cnc2c(=O)n(CC3(O)CCNCC3)cnn12.
What is the InChIKey of 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is ZZXOLFOPZKUDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9-6-14-10-11(18)16(8-15-17(9)10)7-12(19)2-4-13-5-3-12/h6,8,13,19H,2-5,7H2,1H3.
What are the key properties of 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one?
3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 263.30 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 155205874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).