1,3,5-triazin-2-amine

C3H4N4 — CID 20077

IUPAC1,3,5-triazin-2-amine
SMILESNc1ncncn1
InChIInChI=1S/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7)
InChIKeyKCZIUKYAJJEIQG-UHFFFAOYSA-N
MW96.09 g/mol
LogP-0.55
Rot. Bonds

About 1,3,5-triazin-2-amine

1,3,5-triazin-2-amine (PubChem CID 20077) has the molecular formula C3H4N4 and a molecular weight of 96.09 g/mol. Its IUPAC name is 1,3,5-triazin-2-amine.

Molecular Properties

Compound Name1,3,5-triazin-2-amine
PubChem CID20077
Molecular FormulaC3H4N4
Molecular Weight96.09 g/mol
Exact Mass96.04
IUPAC Name1,3,5-triazin-2-amine
SMILESNc1ncncn1
InChIInChI=1S/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7)
InChIKeyKCZIUKYAJJEIQG-UHFFFAOYSA-N
XLogP-0.55
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazin-2-amine?
The IUPAC name of 1,3,5-triazin-2-amine (CID 20077) is 1,3,5-triazin-2-amine.
What is the SMILES notation for 1,3,5-triazin-2-amine?
The canonical SMILES for 1,3,5-triazin-2-amine is Nc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-amine?
The InChIKey is KCZIUKYAJJEIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7).
What are the key properties of 1,3,5-triazin-2-amine?
1,3,5-triazin-2-amine has a molecular weight of 96.09 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazin-2-amine is sourced from PubChem (CID 20077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).