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

C8H11F2N3O — CID 130695852

IUPAC[4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(F)(F)c1nnc(CO)n1C1CC1
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)7-12-11-6(4-14)13(7)5-2-3-5/h5,14H,2-4H2,1H3
InChIKeyNRSVPBMGLKRBMT-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.22
Rot. Bonds3

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

[4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 130695852) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID130695852
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name[4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(F)(F)c1nnc(CO)n1C1CC1
InChIInChI=1S/C8H11F2N3O/c1-8(9,10)7-12-11-6(4-14)13(7)5-2-3-5/h5,14H,2-4H2,1H3
InChIKeyNRSVPBMGLKRBMT-UHFFFAOYSA-N
XLogP1.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-Methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 68355492
[4-Methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]methanol
CID 97619252
[5-(Difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395995
(5-(Difluoromethyl)-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 121597947
[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
(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
CID 164920643
(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
CID 175493668

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol (CID 130695852) is [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol is CC(F)(F)c1nnc(CO)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is NRSVPBMGLKRBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-8(9,10)7-12-11-6(4-14)13(7)5-2-3-5/h5,14H,2-4H2,1H3.
What are the key properties of [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 203.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(1,1-difluoroethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 130695852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).