3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol

C10H17N3O — CID 130905531

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol
SMILESCn1cnnc1C1CCCCC(O)C1
InChIInChI=1S/C10H17N3O/c1-13-7-11-12-10(13)8-4-2-3-5-9(14)6-8/h7-9,14H,2-6H2,1H3
InChIKeyBFIGTJRDAGAQLG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.22
Rot. Bonds1

About 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol

3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol (PubChem CID 130905531) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol
PubChem CID130905531
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol
SMILESCn1cnnc1C1CCCCC(O)C1
InChIInChI=1S/C10H17N3O/c1-13-7-11-12-10(13)8-4-2-3-5-9(14)6-8/h7-9,14H,2-6H2,1H3
InChIKeyBFIGTJRDAGAQLG-UHFFFAOYSA-N
XLogP1.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-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

4-methyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115395411
(3S,5S)-5-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
CID 104912639
(2R,4R)-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 176650185
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95730649
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
3-(4-tert-butylcyclohexyl)-4-methyl-1,2,4-triazole
CID 115395347
4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrate;dihydrochloride
CID 75531205
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
2-(1-adamantyl)-1-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 97142870
4-tert-butyl-3-cyclopentyl-1,2,4-triazole
CID 115394543

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol (CID 130905531) is 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol is Cn1cnnc1C1CCCCC(O)C1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol?
The InChIKey is BFIGTJRDAGAQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-11-12-10(13)8-4-2-3-5-9(14)6-8/h7-9,14H,2-6H2,1H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol?
3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol is sourced from PubChem (CID 130905531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).