2-aminotriazole-4,5-dicarbonitrile

C4H2N6 — CID 168872851

IUPAC2-aminotriazole-4,5-dicarbonitrile
SMILESN#Cc1nn(N)nc1C#N
InChIInChI=1S/C4H2N6/c5-1-3-4(2-6)9-10(7)8-3/h7H2
InChIKeyMEOFGRXZJFZZBS-UHFFFAOYSA-N
MW134.10 g/mol
LogP-1.26
Rot. Bonds

About 2-aminotriazole-4,5-dicarbonitrile

2-aminotriazole-4,5-dicarbonitrile (PubChem CID 168872851) has the molecular formula C4H2N6 and a molecular weight of 134.10 g/mol. Its IUPAC name is 2-aminotriazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-aminotriazole-4,5-dicarbonitrile
PubChem CID168872851
Molecular FormulaC4H2N6
Molecular Weight134.10 g/mol
Exact Mass134.03
IUPAC Name2-aminotriazole-4,5-dicarbonitrile
SMILESN#Cc1nn(N)nc1C#N
InChIInChI=1S/C4H2N6/c5-1-3-4(2-6)9-10(7)8-3/h7H2
InChIKeyMEOFGRXZJFZZBS-UHFFFAOYSA-N
XLogP-1.26
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.10
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-aminotriazole-4,5-dicarbonitrile?
The IUPAC name of 2-aminotriazole-4,5-dicarbonitrile (CID 168872851) is 2-aminotriazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-aminotriazole-4,5-dicarbonitrile?
The canonical SMILES for 2-aminotriazole-4,5-dicarbonitrile is N#Cc1nn(N)nc1C#N.
What is the InChIKey of 2-aminotriazole-4,5-dicarbonitrile?
The InChIKey is MEOFGRXZJFZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N6/c5-1-3-4(2-6)9-10(7)8-3/h7H2.
What are the key properties of 2-aminotriazole-4,5-dicarbonitrile?
2-aminotriazole-4,5-dicarbonitrile has a molecular weight of 134.10 g/mol, XLogP of -1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminotriazole-4,5-dicarbonitrile is sourced from PubChem (CID 168872851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).