6-ethenyltriazine-4,5-diamine

C5H7N5 — CID 68717426

IUPAC6-ethenyltriazine-4,5-diamine
SMILESC=Cc1nnnc(N)c1N
InChIInChI=1S/C5H7N5/c1-2-3-4(6)5(7)9-10-8-3/h2H,1H2,(H2,6,10)(H2,7,8,9)
InChIKeyBUHJIRZBYDNMNB-UHFFFAOYSA-N
MW137.15 g/mol
LogP-0.32
Rot. Bonds1

About 6-ethenyltriazine-4,5-diamine

6-ethenyltriazine-4,5-diamine (PubChem CID 68717426) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 6-ethenyltriazine-4,5-diamine.

Molecular Properties

Compound Name6-ethenyltriazine-4,5-diamine
PubChem CID68717426
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name6-ethenyltriazine-4,5-diamine
SMILESC=Cc1nnnc(N)c1N
InChIInChI=1S/C5H7N5/c1-2-3-4(6)5(7)9-10-8-3/h2H,1H2,(H2,6,10)(H2,7,8,9)
InChIKeyBUHJIRZBYDNMNB-UHFFFAOYSA-N
XLogP-0.32
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyltriazine-4,5-diamine?
The IUPAC name of 6-ethenyltriazine-4,5-diamine (CID 68717426) is 6-ethenyltriazine-4,5-diamine.
What is the SMILES notation for 6-ethenyltriazine-4,5-diamine?
The canonical SMILES for 6-ethenyltriazine-4,5-diamine is C=Cc1nnnc(N)c1N.
What is the InChIKey of 6-ethenyltriazine-4,5-diamine?
The InChIKey is BUHJIRZBYDNMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c1-2-3-4(6)5(7)9-10-8-3/h2H,1H2,(H2,6,10)(H2,7,8,9).
What are the key properties of 6-ethenyltriazine-4,5-diamine?
6-ethenyltriazine-4,5-diamine has a molecular weight of 137.15 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyltriazine-4,5-diamine is sourced from PubChem (CID 68717426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).