3-methyl-1,2,4-triazin-5-amine

C4H6N4 — CID 16740168

IUPAC3-methyl-1,2,4-triazin-5-amine
SMILESCc1nncc(N)n1
InChIInChI=1S/C4H6N4/c1-3-7-4(5)2-6-8-3/h2H,1H3,(H2,5,7,8)
InChIKeyRBLIDERCJAMEPD-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.24
Rot. Bonds

About 3-methyl-1,2,4-triazin-5-amine

3-methyl-1,2,4-triazin-5-amine (PubChem CID 16740168) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 3-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-methyl-1,2,4-triazin-5-amine
PubChem CID16740168
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name3-methyl-1,2,4-triazin-5-amine
SMILESCc1nncc(N)n1
InChIInChI=1S/C4H6N4/c1-3-7-4(5)2-6-8-3/h2H,1H3,(H2,5,7,8)
InChIKeyRBLIDERCJAMEPD-UHFFFAOYSA-N
XLogP-0.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-methyl-1,2,4-triazin-5-amine (CID 16740168) is 3-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-methyl-1,2,4-triazin-5-amine is Cc1nncc(N)n1.
What is the InChIKey of 3-methyl-1,2,4-triazin-5-amine?
The InChIKey is RBLIDERCJAMEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c1-3-7-4(5)2-6-8-3/h2H,1H3,(H2,5,7,8).
What are the key properties of 3-methyl-1,2,4-triazin-5-amine?
3-methyl-1,2,4-triazin-5-amine has a molecular weight of 110.12 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 16740168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).