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

C8H8N4O — CID 21039615

IUPAC(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol
SMILESOCc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C8H8N4O/c13-5-7-10-8(12-11-7)6-3-1-2-4-9-6/h1-4,13H,5H2,(H,10,11,12)
InChIKeyPZZXGXXJZIBBER-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.36
Rot. Bonds2

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

(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol (PubChem CID 21039615) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol
PubChem CID21039615
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol
SMILESOCc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C8H8N4O/c13-5-7-10-8(12-11-7)6-3-1-2-4-9-6/h1-4,13H,5H2,(H,10,11,12)
InChIKeyPZZXGXXJZIBBER-UHFFFAOYSA-N
XLogP0.36
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol (CID 21039615) is (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol is OCc1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is PZZXGXXJZIBBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c13-5-7-10-8(12-11-7)6-3-1-2-4-9-6/h1-4,13H,5H2,(H,10,11,12).
What are the key properties of (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol?
(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 176.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 21039615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).