2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile

C7H4N8 — CID 10352744

IUPAC2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile
SMILESN#Cc1c(N)nc2nc(N)nn2c1C#N
InChIInChI=1S/C7H4N8/c8-1-3-4(2-9)15-7(12-5(3)10)13-6(11)14-15/h(H4,10,11,12,13,14)
InChIKeyQPIJUTMQTJXUNB-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.97
Rot. Bonds

About 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile

2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile (PubChem CID 10352744) has the molecular formula C7H4N8 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile.

Molecular Properties

Compound Name2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile
PubChem CID10352744
Molecular FormulaC7H4N8
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile
SMILESN#Cc1c(N)nc2nc(N)nn2c1C#N
InChIInChI=1S/C7H4N8/c8-1-3-4(2-9)15-7(12-5(3)10)13-6(11)14-15/h(H4,10,11,12,13,14)
InChIKeyQPIJUTMQTJXUNB-UHFFFAOYSA-N
XLogP-0.97
TPSA142.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile?
The IUPAC name of 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile (CID 10352744) is 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile.
What is the SMILES notation for 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile?
The canonical SMILES for 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile is N#Cc1c(N)nc2nc(N)nn2c1C#N.
What is the InChIKey of 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile?
The InChIKey is QPIJUTMQTJXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N8/c8-1-3-4(2-9)15-7(12-5(3)10)13-6(11)14-15/h(H4,10,11,12,13,14).
What are the key properties of 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile?
2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile has a molecular weight of 200.16 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-[1,2,4]triazolo[1,5-a]pyrimidine-6,7-dicarbonitrile is sourced from PubChem (CID 10352744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).