2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol

C14H12N4O — CID 135429519

IUPAC2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1cccc(-c2nc(-c3ccccc3O)n[nH]2)n1
InChIInChI=1S/C14H12N4O/c1-9-5-4-7-11(15-9)14-16-13(17-18-14)10-6-2-3-8-12(10)19/h2-8,19H,1H3,(H,16,17,18)
InChIKeyRHSJBPCWRYKASH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.55
Rot. Bonds2

About 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol

2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135429519) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135429519
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1cccc(-c2nc(-c3ccccc3O)n[nH]2)n1
InChIInChI=1S/C14H12N4O/c1-9-5-4-7-11(15-9)14-16-13(17-18-14)10-6-2-3-8-12(10)19/h2-8,19H,1H3,(H,16,17,18)
InChIKeyRHSJBPCWRYKASH-UHFFFAOYSA-N
XLogP2.55
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol (CID 135429519) is 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol is Cc1cccc(-c2nc(-c3ccccc3O)n[nH]2)n1.
What is the InChIKey of 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is RHSJBPCWRYKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-5-4-7-11(15-9)14-16-13(17-18-14)10-6-2-3-8-12(10)19/h2-8,19H,1H3,(H,16,17,18).
What are the key properties of 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 252.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135429519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).