4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol

C14H13N3O — CID 117142098

IUPAC4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESCc1cccc2nnc(Cc3ccc(O)cc3)n12
InChIInChI=1S/C14H13N3O/c1-10-3-2-4-13-15-16-14(17(10)13)9-11-5-7-12(18)8-6-11/h2-8,18H,9H2,1H3
InChIKeyRVHVNOBAUJRPLH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds2

About 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol

4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (PubChem CID 117142098) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
PubChem CID117142098
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESCc1cccc2nnc(Cc3ccc(O)cc3)n12
InChIInChI=1S/C14H13N3O/c1-10-3-2-4-13-15-16-14(17(10)13)9-11-5-7-12(18)8-6-11/h2-8,18H,9H2,1H3
InChIKeyRVHVNOBAUJRPLH-UHFFFAOYSA-N
XLogP2.33
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The IUPAC name of 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (CID 117142098) is 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is Cc1cccc2nnc(Cc3ccc(O)cc3)n12.
What is the InChIKey of 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The InChIKey is RVHVNOBAUJRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-3-2-4-13-15-16-14(17(10)13)9-11-5-7-12(18)8-6-11/h2-8,18H,9H2,1H3.
What are the key properties of 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol has a molecular weight of 239.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 117142098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).