(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol

C9H15N3O — CID 115396305

IUPAC(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
SMILESCC(C)c1nnc(CO)n1C1CC1
InChIInChI=1S/C9H15N3O/c1-6(2)9-11-10-8(5-13)12(9)7-3-4-7/h6-7,13H,3-5H2,1-2H3
InChIKeyLHOVFUGLAXZKNF-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.23
Rot. Bonds3

About (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol

(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol (PubChem CID 115396305) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
PubChem CID115396305
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
SMILESCC(C)c1nnc(CO)n1C1CC1
InChIInChI=1S/C9H15N3O/c1-6(2)9-11-10-8(5-13)12(9)7-3-4-7/h6-7,13H,3-5H2,1-2H3
InChIKeyLHOVFUGLAXZKNF-UHFFFAOYSA-N
XLogP1.23
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methanol
CID 83383698
(5-tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol
CID 115396350
[4-cyclopropyl-5-(2,2-dimethylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115396372
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 25473323
3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane
CID 143691596
3-chloro-4-cyclobutyl-5-propan-2-yl-1,2,4-triazole
CID 63385303
[4-cyclopropyl-5-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396248
(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol
CID 117149677
(2S)-N-cyclohexyl-2-[[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 97063662
4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
CID 45097111
ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
CID 142910584
N-cyclopentyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 37251718

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol (CID 115396305) is (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol is CC(C)c1nnc(CO)n1C1CC1.
What is the InChIKey of (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol?
The InChIKey is LHOVFUGLAXZKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)9-11-10-8(5-13)12(9)7-3-4-7/h6-7,13H,3-5H2,1-2H3.
What are the key properties of (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol?
(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol has a molecular weight of 181.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 115396305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).