[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile

C5H2N6 — CID 135126974

IUPAC[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESN#Cc1cn2ncnc2nn1
InChIInChI=1S/C5H2N6/c6-1-4-2-11-5(10-9-4)7-3-8-11/h2-3H
InChIKeyJOSXWAFUILNULL-UHFFFAOYSA-N
MW146.11 g/mol
LogP-0.61
Rot. Bonds

About [1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile

[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile (PubChem CID 135126974) has the molecular formula C5H2N6 and a molecular weight of 146.11 g/mol. Its IUPAC name is [1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile.

Molecular Properties

Compound Name[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile
PubChem CID135126974
Molecular FormulaC5H2N6
Molecular Weight146.11 g/mol
Exact Mass146.03
IUPAC Name[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESN#Cc1cn2ncnc2nn1
InChIInChI=1S/C5H2N6/c6-1-4-2-11-5(10-9-4)7-3-8-11/h2-3H
InChIKeyJOSXWAFUILNULL-UHFFFAOYSA-N
XLogP-0.61
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 5-0.61
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[5,1-c][1,2,4]triazine-3-carbonitrile?
The IUPAC name of [1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile (CID 135126974) is [1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile.
What is the SMILES notation for [1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The canonical SMILES for [1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile is N#Cc1cn2ncnc2nn1.
What is the InChIKey of [1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The InChIKey is JOSXWAFUILNULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N6/c6-1-4-2-11-5(10-9-4)7-3-8-11/h2-3H.
What are the key properties of [1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carbonitrile has a molecular weight of 146.11 g/mol, XLogP of -0.61, 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[5,1-c][1,2,4]triazine-3-carbonitrile is sourced from PubChem (CID 135126974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).