(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol

C9H16N4O — CID 71692390

IUPAC(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol
SMILESCn1c(CO)nnc1C1CCCNC1
InChIInChI=1S/C9H16N4O/c1-13-8(6-14)11-12-9(13)7-3-2-4-10-5-7/h7,10,14H,2-6H2,1H3
InChIKeyUWCBIITVPHFKRE-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds2

About (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol

(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol (PubChem CID 71692390) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol
PubChem CID71692390
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol
SMILESCn1c(CO)nnc1C1CCCNC1
InChIInChI=1S/C9H16N4O/c1-13-8(6-14)11-12-9(13)7-3-2-4-10-5-7/h7,10,14H,2-6H2,1H3
InChIKeyUWCBIITVPHFKRE-UHFFFAOYSA-N
XLogP-0.23
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol 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-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol (CID 71692390) is (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol is Cn1c(CO)nnc1C1CCCNC1.
What is the InChIKey of (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol?
The InChIKey is UWCBIITVPHFKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-8(6-14)11-12-9(13)7-3-2-4-10-5-7/h7,10,14H,2-6H2,1H3.
What are the key properties of (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol?
(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 71692390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).