5-N-methyl-1,2,4-triazine-3,5-diamine

C4H7N5 — CID 89495359

IUPAC5-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCNc1cnnc(N)n1
InChIInChI=1S/C4H7N5/c1-6-3-2-7-9-4(5)8-3/h2H,1H3,(H3,5,6,8,9)
InChIKeyZHNWNBPXCFMWRJ-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.50
Rot. Bonds1

About 5-N-methyl-1,2,4-triazine-3,5-diamine

5-N-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 89495359) has the molecular formula C4H7N5 and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-N-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-1,2,4-triazine-3,5-diamine
PubChem CID89495359
Molecular FormulaC4H7N5
Molecular Weight125.13 g/mol
Exact Mass125.07
IUPAC Name5-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCNc1cnnc(N)n1
InChIInChI=1S/C4H7N5/c1-6-3-2-7-9-4(5)8-3/h2H,1H3,(H3,5,6,8,9)
InChIKeyZHNWNBPXCFMWRJ-UHFFFAOYSA-N
XLogP-0.50
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-methyl-1,2,4-triazine-3,5-diamine (CID 89495359) is 5-N-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-methyl-1,2,4-triazine-3,5-diamine is CNc1cnnc(N)n1.
What is the InChIKey of 5-N-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is ZHNWNBPXCFMWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5/c1-6-3-2-7-9-4(5)8-3/h2H,1H3,(H3,5,6,8,9).
What are the key properties of 5-N-methyl-1,2,4-triazine-3,5-diamine?
5-N-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 125.13 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 89495359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).