(2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol

C9H14FN3O — CID 131000775

IUPAC(2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol
SMILESCCn1ncnc1C(O)C1(C)CC1F
InChIInChI=1S/C9H14FN3O/c1-3-13-8(11-5-12-13)7(14)9(2)4-6(9)10/h5-7,14H,3-4H2,1-2H3
InChIKeyCXIAPWCOYDUIDK-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.08
Rot. Bonds3

About (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol

(2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol (PubChem CID 131000775) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol
PubChem CID131000775
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name(2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol
SMILESCCn1ncnc1C(O)C1(C)CC1F
InChIInChI=1S/C9H14FN3O/c1-3-13-8(11-5-12-13)7(14)9(2)4-6(9)10/h5-7,14H,3-4H2,1-2H3
InChIKeyCXIAPWCOYDUIDK-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol?
The IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol (CID 131000775) is (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol.
What is the SMILES notation for (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol?
The canonical SMILES for (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol is CCn1ncnc1C(O)C1(C)CC1F.
What is the InChIKey of (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol?
The InChIKey is CXIAPWCOYDUIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-3-13-8(11-5-12-13)7(14)9(2)4-6(9)10/h5-7,14H,3-4H2,1-2H3.
What are the key properties of (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol?
(2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol has a molecular weight of 199.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,2,4-triazol-3-yl)-(2-fluoro-1-methylcyclopropyl)methanol is sourced from PubChem (CID 131000775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).