4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol

C13H16N4O — CID 117148965

IUPAC4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESNC1CCc2nnc(Cc3ccc(O)cc3)n2C1
InChIInChI=1S/C13H16N4O/c14-10-3-6-12-15-16-13(17(12)8-10)7-9-1-4-11(18)5-2-9/h1-2,4-5,10,18H,3,6-8,14H2
InChIKeyRCUVCKOZOXZUBG-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.85
Rot. Bonds2

About 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol

4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (PubChem CID 117148965) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
PubChem CID117148965
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
SMILESNC1CCc2nnc(Cc3ccc(O)cc3)n2C1
InChIInChI=1S/C13H16N4O/c14-10-3-6-12-15-16-13(17(12)8-10)7-9-1-4-11(18)5-2-9/h1-2,4-5,10,18H,3,6-8,14H2
InChIKeyRCUVCKOZOXZUBG-UHFFFAOYSA-N
XLogP0.85
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The IUPAC name of 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol (CID 117148965) is 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is NC1CCc2nnc(Cc3ccc(O)cc3)n2C1.
What is the InChIKey of 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
The InChIKey is RCUVCKOZOXZUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-10-3-6-12-15-16-13(17(12)8-10)7-9-1-4-11(18)5-2-9/h1-2,4-5,10,18H,3,6-8,14H2.
What are the key properties of 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol?
4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol has a molecular weight of 244.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 117148965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).