5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine

C11H18N4 — CID 105362879

IUPAC5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
SMILESC=C(C)CNc1nnc(CC)c(CC)n1
InChIInChI=1S/C11H18N4/c1-5-9-10(6-2)14-15-11(13-9)12-7-8(3)4/h3,5-7H2,1-2,4H3,(H,12,13,15)
InChIKeyPKBVNIDGZAENEH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.98
Rot. Bonds5

About 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine (PubChem CID 105362879) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
PubChem CID105362879
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
SMILESC=C(C)CNc1nnc(CC)c(CC)n1
InChIInChI=1S/C11H18N4/c1-5-9-10(6-2)14-15-11(13-9)12-7-8(3)4/h3,5-7H2,1-2,4H3,(H,12,13,15)
InChIKeyPKBVNIDGZAENEH-UHFFFAOYSA-N
XLogP1.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
N-tert-butyl-2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362757
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-2-methylpentan-2-ol
CID 106544464
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
CID 114985339
5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine
CID 106544613
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105362989

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine (CID 105362879) is 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine is C=C(C)CNc1nnc(CC)c(CC)n1.
What is the InChIKey of 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine?
The InChIKey is PKBVNIDGZAENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-9-10(6-2)14-15-11(13-9)12-7-8(3)4/h3,5-7H2,1-2,4H3,(H,12,13,15).
What are the key properties of 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).