[1,2,4]triazolo[1,5-c]pteridine

C7H4N6 — CID 12704751

IUPAC[1,2,4]triazolo[1,5-c]pteridine
SMILESc1cnc2c(n1)ncn1ncnc21
InChIInChI=1S/C7H4N6/c1-2-9-6-5(8-1)7-10-3-12-13(7)4-11-6/h1-4H
InChIKeyLHKQVXUYYKZCHG-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.07
Rot. Bonds

About [1,2,4]triazolo[1,5-c]pteridine

[1,2,4]triazolo[1,5-c]pteridine (PubChem CID 12704751) has the molecular formula C7H4N6 and a molecular weight of 172.15 g/mol. Its IUPAC name is [1,2,4]triazolo[1,5-c]pteridine.

Molecular Properties

Compound Name[1,2,4]triazolo[1,5-c]pteridine
PubChem CID12704751
Molecular FormulaC7H4N6
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name[1,2,4]triazolo[1,5-c]pteridine
SMILESc1cnc2c(n1)ncn1ncnc21
InChIInChI=1S/C7H4N6/c1-2-9-6-5(8-1)7-10-3-12-13(7)4-11-6/h1-4H
InChIKeyLHKQVXUYYKZCHG-UHFFFAOYSA-N
XLogP0.07
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[1,5-c]pteridine?
The IUPAC name of [1,2,4]triazolo[1,5-c]pteridine (CID 12704751) is [1,2,4]triazolo[1,5-c]pteridine.
What is the SMILES notation for [1,2,4]triazolo[1,5-c]pteridine?
The canonical SMILES for [1,2,4]triazolo[1,5-c]pteridine is c1cnc2c(n1)ncn1ncnc21.
What is the InChIKey of [1,2,4]triazolo[1,5-c]pteridine?
The InChIKey is LHKQVXUYYKZCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N6/c1-2-9-6-5(8-1)7-10-3-12-13(7)4-11-6/h1-4H.
What are the key properties of [1,2,4]triazolo[1,5-c]pteridine?
[1,2,4]triazolo[1,5-c]pteridine has a molecular weight of 172.15 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[1,5-c]pteridine is sourced from PubChem (CID 12704751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).