1,3,5-triazine-2-carbonitrile

C4H2N4 — CID 23260879

IUPAC1,3,5-triazine-2-carbonitrile
SMILESN#Cc1ncncn1
InChIInChI=1S/C4H2N4/c5-1-4-7-2-6-3-8-4/h2-3H
InChIKeyONHWRNRADVTHOQ-UHFFFAOYSA-N
MW106.09 g/mol
LogP-0.26
Rot. Bonds

About 1,3,5-triazine-2-carbonitrile

1,3,5-triazine-2-carbonitrile (PubChem CID 23260879) has the molecular formula C4H2N4 and a molecular weight of 106.09 g/mol. Its IUPAC name is 1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name1,3,5-triazine-2-carbonitrile
PubChem CID23260879
Molecular FormulaC4H2N4
Molecular Weight106.09 g/mol
Exact Mass106.03
IUPAC Name1,3,5-triazine-2-carbonitrile
SMILESN#Cc1ncncn1
InChIInChI=1S/C4H2N4/c5-1-4-7-2-6-3-8-4/h2-3H
InChIKeyONHWRNRADVTHOQ-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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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2-carbonitrile?
The IUPAC name of 1,3,5-triazine-2-carbonitrile (CID 23260879) is 1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 1,3,5-triazine-2-carbonitrile is N#Cc1ncncn1.
What is the InChIKey of 1,3,5-triazine-2-carbonitrile?
The InChIKey is ONHWRNRADVTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4/c5-1-4-7-2-6-3-8-4/h2-3H.
What are the key properties of 1,3,5-triazine-2-carbonitrile?
1,3,5-triazine-2-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 1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 23260879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).