5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C6H4N6 — CID 10464587

IUPAC5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cn2ncnc2nc1N
InChIInChI=1S/C6H4N6/c7-1-4-2-12-6(9-3-10-12)11-5(4)8/h2-3H,(H2,8,9,10,11)
InChIKeyLCDRZWPFFGXXGE-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.42
Rot. Bonds

About 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 10464587) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID10464587
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cn2ncnc2nc1N
InChIInChI=1S/C6H4N6/c7-1-4-2-12-6(9-3-10-12)11-5(4)8/h2-3H,(H2,8,9,10,11)
InChIKeyLCDRZWPFFGXXGE-UHFFFAOYSA-N
XLogP-0.42
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 10464587) is 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cn2ncnc2nc1N.
What is the InChIKey of 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is LCDRZWPFFGXXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c7-1-4-2-12-6(9-3-10-12)11-5(4)8/h2-3H,(H2,8,9,10,11).
What are the key properties of 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 160.14 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 10464587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).