[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol

C9H14FN3O — CID 130561798

IUPAC[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(F)c1nnc(CO)n1C1CC1
InChIInChI=1S/C9H14FN3O/c1-9(2,10)8-12-11-7(5-14)13(8)6-3-4-6/h6,14H,3-5H2,1-2H3
InChIKeyVJFNKVNJJPRPKD-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.31
Rot. Bonds3

About [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol

[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 130561798) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID130561798
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(F)c1nnc(CO)n1C1CC1
InChIInChI=1S/C9H14FN3O/c1-9(2,10)8-12-11-7(5-14)13(8)6-3-4-6/h6,14H,3-5H2,1-2H3
InChIKeyVJFNKVNJJPRPKD-UHFFFAOYSA-N
XLogP1.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-cyclopropyl-5-(2-fluoropropan-2-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

Related Compounds

(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
[5-Ethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 126712835
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 129190894
[4-Propan-2-yl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213632
[4-Propan-2-yl-5-(2,2,2-trifluoroethoxymethyl)-1,2,4-triazol-3-yl]methanol
CID 103213633
[4-Cyclopropyl-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213634
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 103213637
[4-Ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213638
[5-[2-(2,2-Difluoroethoxy)ethyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 103213640

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 130561798) is [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol is CC(C)(F)c1nnc(CO)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is VJFNKVNJJPRPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-9(2,10)8-12-11-7(5-14)13(8)6-3-4-6/h6,14H,3-5H2,1-2H3.
What are the key properties of [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 199.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 130561798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).