[3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol

C12H11N5O — CID 14685643

IUPAC[3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol
SMILESNc1nc2ccnc(-c3cccc(CO)c3)n2n1
InChIInChI=1S/C12H11N5O/c13-12-15-10-4-5-14-11(17(10)16-12)9-3-1-2-8(6-9)7-18/h1-6,18H,7H2,(H2,13,16)
InChIKeyQXFOAKCLOKIWQE-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.87
Rot. Bonds2

About [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol

[3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol (PubChem CID 14685643) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol
PubChem CID14685643
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name[3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol
SMILESNc1nc2ccnc(-c3cccc(CO)c3)n2n1
InChIInChI=1S/C12H11N5O/c13-12-15-10-4-5-14-11(17(10)16-12)9-3-1-2-8(6-9)7-18/h1-6,18H,7H2,(H2,13,16)
InChIKeyQXFOAKCLOKIWQE-UHFFFAOYSA-N
XLogP0.87
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol?
The IUPAC name of [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol (CID 14685643) is [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol.
What is the SMILES notation for [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol?
The canonical SMILES for [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol is Nc1nc2ccnc(-c3cccc(CO)c3)n2n1.
What is the InChIKey of [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol?
The InChIKey is QXFOAKCLOKIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c13-12-15-10-4-5-14-11(17(10)16-12)9-3-1-2-8(6-9)7-18/h1-6,18H,7H2,(H2,13,16).
What are the key properties of [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol?
[3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol has a molecular weight of 241.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol is sourced from PubChem (CID 14685643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).