(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol

C12H10N4O — CID 79599904

IUPAC(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol
SMILESOCc1nc(-c2ccc3ccccc3n2)n[nH]1
InChIInChI=1S/C12H10N4O/c17-7-11-14-12(16-15-11)10-6-5-8-3-1-2-4-9(8)13-10/h1-6,17H,7H2,(H,14,15,16)
InChIKeyYVBUWLJORBUMFO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.51
Rot. Bonds2

About (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol

(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol (PubChem CID 79599904) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol
PubChem CID79599904
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol
SMILESOCc1nc(-c2ccc3ccccc3n2)n[nH]1
InChIInChI=1S/C12H10N4O/c17-7-11-14-12(16-15-11)10-6-5-8-3-1-2-4-9(8)13-10/h1-6,17H,7H2,(H,14,15,16)
InChIKeyYVBUWLJORBUMFO-UHFFFAOYSA-N
XLogP1.51
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 55163117
(3-isoquinolin-1-yl-1H-1,2,4-triazol-5-yl)methanol
CID 79601052
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
(2,4-dichloro-3-quinolin-2-ylphenyl)methanol
CID 174860669
(2-fluoro-4-quinolin-2-ylphenyl)methanol
CID 70813231
(3-methyl-4-quinolin-2-ylphenyl)methanol
CID 170986628
iridium;tris(2-phenylquinoline)
CID 122129463
2-[4-(chloromethyl)pyrimidin-2-yl]quinoline
CID 63222282
2-(4-chloropyrimidin-2-yl)quinoline
CID 63222790
4-propan-2-yl-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
CID 115389976
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786

Frequently Asked Questions

What is the IUPAC name of (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol (CID 79599904) is (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol is OCc1nc(-c2ccc3ccccc3n2)n[nH]1.
What is the InChIKey of (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is YVBUWLJORBUMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-7-11-14-12(16-15-11)10-6-5-8-3-1-2-4-9(8)13-10/h1-6,17H,7H2,(H,14,15,16).
What are the key properties of (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol?
(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 226.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 79599904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).