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

C9H16N4O — CID 127018253

IUPAC3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
SMILESCn1cnnc1CC1(O)CCCNC1
InChIInChI=1S/C9H16N4O/c1-13-7-11-12-8(13)5-9(14)3-2-4-10-6-9/h7,10,14H,2-6H2,1H3
InChIKeyKMLITJQMAZTFCI-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.53
Rot. Bonds2

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

3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol (PubChem CID 127018253) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
PubChem CID127018253
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
SMILESCn1cnnc1CC1(O)CCCNC1
InChIInChI=1S/C9H16N4O/c1-13-7-11-12-8(13)5-9(14)3-2-4-10-6-9/h7,10,14H,2-6H2,1H3
InChIKeyKMLITJQMAZTFCI-UHFFFAOYSA-N
XLogP-0.53
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 ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
4-(1-methyl-1H-1,2,4-triazol-5-yl)piperidin-4-ol dihydrochloride
CID 126809505
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-3-ol dihydrochloride
CID 137698610
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62693866
(3S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 164634535
1-[(2S)-2-methylbutyl]-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 164635226
(3S)-3-ethyl-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-ol
CID 171359129
4-(1-Methyl-1H-1,2,4-triazol-5-yl)piperidin-4-ol
CID 126809506
1-(but-2-yn-1-yl)-3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 137884475
1-[3-[3-(Ethylamino)cyclohexyl]-1,2,4-triazol-4-yl]-2-methylpropan-2-ol
CID 141424900
3-[2-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 55107397
4-[2-[4-(2-Methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 55107398

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol (CID 127018253) is 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol is Cn1cnnc1CC1(O)CCCNC1.
What is the InChIKey of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is KMLITJQMAZTFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-7-11-12-8(13)5-9(14)3-2-4-10-6-9/h7,10,14H,2-6H2,1H3.
What are the key properties of 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 196.25 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 127018253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).