1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol

C9H16N4O — CID 112733969

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESCn1cnnc1CN1CCC(O)CC1
InChIInChI=1S/C9H16N4O/c1-12-7-10-11-9(12)6-13-4-2-8(14)3-5-13/h7-8,14H,2-6H2,1H3
InChIKeyCNFZBZFGBODZBZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds2

About 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (PubChem CID 112733969) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
PubChem CID112733969
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
SMILESCn1cnnc1CN1CCC(O)CC1
InChIInChI=1S/C9H16N4O/c1-12-7-10-11-9(12)6-13-4-2-8(14)3-5-13/h7-8,14H,2-6H2,1H3
InChIKeyCNFZBZFGBODZBZ-UHFFFAOYSA-N
XLogP-0.23
TPSA54.18 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771128
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 166606235
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 110913167
4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 136580193
2-(4-hydroxycyclohexyl)-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70735202
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
CID 112734344
5-cyclopropyl-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 172891311
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65417215
1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
CID 75431582
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340223
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 122244932
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol (CID 112733969) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is Cn1cnnc1CN1CCC(O)CC1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is CNFZBZFGBODZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-7-10-11-9(12)6-13-4-2-8(14)3-5-13/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 196.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 112733969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).