1,2,4-triazine-5-carbonitrile

C4H2N4 — CID 67242031

IUPAC1,2,4-triazine-5-carbonitrile
SMILESN#Cc1cnncn1
InChIInChI=1S/C4H2N4/c5-1-4-2-7-8-3-6-4/h2-3H
InChIKeyLPXOUBDTZSHIOQ-UHFFFAOYSA-N
MW106.09 g/mol
LogP-0.26
Rot. Bonds

About 1,2,4-triazine-5-carbonitrile

1,2,4-triazine-5-carbonitrile (PubChem CID 67242031) has the molecular formula C4H2N4 and a molecular weight of 106.09 g/mol. Its IUPAC name is 1,2,4-triazine-5-carbonitrile.

Molecular Properties

Compound Name1,2,4-triazine-5-carbonitrile
PubChem CID67242031
Molecular FormulaC4H2N4
Molecular Weight106.09 g/mol
Exact Mass106.03
IUPAC Name1,2,4-triazine-5-carbonitrile
SMILESN#Cc1cnncn1
InChIInChI=1S/C4H2N4/c5-1-4-2-7-8-3-6-4/h2-3H
InChIKeyLPXOUBDTZSHIOQ-UHFFFAOYSA-N
XLogP-0.26
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.09
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1,2,4-triazin-3-amine
CID 237588
1,2,4-Triazine, 5-methyl-
CID 140808
1,2,4-Triazine, 6-methyl-
CID 140809
5-(Trifluoromethyl)-1,2,4-triazin-3-amine
CID 11542832
6-Trifluoromethyl-1,2,4-triazine
CID 90993457
5-Trifluoromethyl-1,2,4-triazine
CID 91559397
6-Methyl-1,2,4-triazin-3-amine
CID 6326288
1,2,4-Triazine-6-carbonitrile
CID 54480857
3-Cyano-1,2,4-triazolo[5,1-c][1,2,4]triazine
CID 135126974
3-Fluoro-6-methyl-1,2,4-triazine
CID 59059061
5-(Difluoromethyl)-1,2,4-triazine
CID 173600634
6-(Difluoromethyl)-1,2,4-triazine
CID 173600641

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazine-5-carbonitrile?
The IUPAC name of 1,2,4-triazine-5-carbonitrile (CID 67242031) is 1,2,4-triazine-5-carbonitrile.
What is the SMILES notation for 1,2,4-triazine-5-carbonitrile?
The canonical SMILES for 1,2,4-triazine-5-carbonitrile is N#Cc1cnncn1.
What is the InChIKey of 1,2,4-triazine-5-carbonitrile?
The InChIKey is LPXOUBDTZSHIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4/c5-1-4-2-7-8-3-6-4/h2-3H.
What are the key properties of 1,2,4-triazine-5-carbonitrile?
1,2,4-triazine-5-carbonitrile has a molecular weight of 106.09 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazine-5-carbonitrile is sourced from PubChem (CID 67242031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).