(4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol

C17H18FN3O — CID 10402479

IUPAC(4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
SMILESCc1cc(C(O)c2ccc3nnc(C(C)C)n3c2)ccc1F
InChIInChI=1S/C17H18FN3O/c1-10(2)17-20-19-15-7-5-13(9-21(15)17)16(22)12-4-6-14(18)11(3)8-12/h4-10,16,22H,1-3H3
InChIKeyXNRCMODZVPQKPN-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.38
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol

(4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol (PubChem CID 10402479) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
PubChem CID10402479
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
SMILESCc1cc(C(O)c2ccc3nnc(C(C)C)n3c2)ccc1F
InChIInChI=1S/C17H18FN3O/c1-10(2)17-20-19-15-7-5-13(9-21(15)17)16(22)12-4-6-14(18)11(3)8-12/h4-10,16,22H,1-3H3
InChIKeyXNRCMODZVPQKPN-UHFFFAOYSA-N
XLogP3.38
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol?
The IUPAC name of (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol (CID 10402479) is (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol is Cc1cc(C(O)c2ccc3nnc(C(C)C)n3c2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol?
The InChIKey is XNRCMODZVPQKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-10(2)17-20-19-15-7-5-13(9-21(15)17)16(22)12-4-6-14(18)11(3)8-12/h4-10,16,22H,1-3H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol?
(4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol has a molecular weight of 299.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol is sourced from PubChem (CID 10402479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).