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

C6H11N5 — CID 89395927

IUPAC5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCCN(C)c1cnnc(N)n1
InChIInChI=1S/C6H11N5/c1-3-11(2)5-4-8-10-6(7)9-5/h4H,3H2,1-2H3,(H2,7,9,10)
InChIKeyMMSKLKLIZBLUAS-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.09
Rot. Bonds2

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

5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 89395927) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine
PubChem CID89395927
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCCN(C)c1cnnc(N)n1
InChIInChI=1S/C6H11N5/c1-3-11(2)5-4-8-10-6(7)9-5/h4H,3H2,1-2H3,(H2,7,9,10)
InChIKeyMMSKLKLIZBLUAS-UHFFFAOYSA-N
XLogP-0.09
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine (CID 89395927) is 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine is CCN(C)c1cnnc(N)n1.
What is the InChIKey of 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is MMSKLKLIZBLUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-3-11(2)5-4-8-10-6(7)9-5/h4H,3H2,1-2H3,(H2,7,9,10).
What are the key properties of 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine?
5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 153.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-5-N-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 89395927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).