1,3,5-triazin-2-ylmethanamine

C4H6N4 — CID 22639528

IUPAC1,3,5-triazin-2-ylmethanamine
SMILESNCc1ncncn1
InChIInChI=1S/C4H6N4/c5-1-4-7-2-6-3-8-4/h2-3H,1,5H2
InChIKeyNHXJALZACMFVJV-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.67
Rot. Bonds1

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

1,3,5-triazin-2-ylmethanamine (PubChem CID 22639528) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 1,3,5-triazin-2-ylmethanamine.

Molecular Properties

Compound Name1,3,5-triazin-2-ylmethanamine
PubChem CID22639528
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name1,3,5-triazin-2-ylmethanamine
SMILESNCc1ncncn1
InChIInChI=1S/C4H6N4/c5-1-4-7-2-6-3-8-4/h2-3H,1,5H2
InChIKeyNHXJALZACMFVJV-UHFFFAOYSA-N
XLogP-0.67
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.67
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-ylmethanamine?
The IUPAC name of 1,3,5-triazin-2-ylmethanamine (CID 22639528) is 1,3,5-triazin-2-ylmethanamine.
What is the SMILES notation for 1,3,5-triazin-2-ylmethanamine?
The canonical SMILES for 1,3,5-triazin-2-ylmethanamine is NCc1ncncn1.
What is the InChIKey of 1,3,5-triazin-2-ylmethanamine?
The InChIKey is NHXJALZACMFVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c5-1-4-7-2-6-3-8-4/h2-3H,1,5H2.
What are the key properties of 1,3,5-triazin-2-ylmethanamine?
1,3,5-triazin-2-ylmethanamine has a molecular weight of 110.12 g/mol, XLogP of -0.67, 1 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-ylmethanamine is sourced from PubChem (CID 22639528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).