2-(1H-azirin-2-yl)-1,3,5-triazine

C5H4N4 — CID 150494203

IUPAC2-(1H-azirin-2-yl)-1,3,5-triazine
SMILESC1=C(c2ncncn2)N1
InChIInChI=1S/C5H4N4/c1-4(7-1)5-8-2-6-3-9-5/h1-3,7H
InChIKeyHWKXPQATBXDKGA-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.23
Rot. Bonds1

About 2-(1H-azirin-2-yl)-1,3,5-triazine

2-(1H-azirin-2-yl)-1,3,5-triazine (PubChem CID 150494203) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 2-(1H-azirin-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1H-azirin-2-yl)-1,3,5-triazine
PubChem CID150494203
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name2-(1H-azirin-2-yl)-1,3,5-triazine
SMILESC1=C(c2ncncn2)N1
InChIInChI=1S/C5H4N4/c1-4(7-1)5-8-2-6-3-9-5/h1-3,7H
InChIKeyHWKXPQATBXDKGA-UHFFFAOYSA-N
XLogP-0.23
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-azirin-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(1H-azirin-2-yl)-1,3,5-triazine (CID 150494203) is 2-(1H-azirin-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1H-azirin-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1H-azirin-2-yl)-1,3,5-triazine is C1=C(c2ncncn2)N1.
What is the InChIKey of 2-(1H-azirin-2-yl)-1,3,5-triazine?
The InChIKey is HWKXPQATBXDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-4(7-1)5-8-2-6-3-9-5/h1-3,7H.
What are the key properties of 2-(1H-azirin-2-yl)-1,3,5-triazine?
2-(1H-azirin-2-yl)-1,3,5-triazine has a molecular weight of 120.11 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-azirin-2-yl)-1,3,5-triazine is sourced from PubChem (CID 150494203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).