5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine

C13H22N4 — CID 106544613

IUPAC5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC2(CC)CC2)nc1CC
InChIInChI=1S/C13H22N4/c1-4-10-11(5-2)16-17-12(15-10)14-9-13(6-3)7-8-13/h4-9H2,1-3H3,(H,14,15,17)
InChIKeyOKLWQKKPFZIONT-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.60
Rot. Bonds6

About 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 106544613) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine
PubChem CID106544613
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC2(CC)CC2)nc1CC
InChIInChI=1S/C13H22N4/c1-4-10-11(5-2)16-17-12(15-10)14-9-13(6-3)7-8-13/h4-9H2,1-3H3,(H,14,15,17)
InChIKeyOKLWQKKPFZIONT-UHFFFAOYSA-N
XLogP2.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 105362695
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
CID 105362879
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine
CID 107159279
5,6-diethyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 105362504
[1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]cyclopropyl]methanol
CID 114448681
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
N-[[2-(aminomethyl)cyclopentyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363502
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-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine (CID 106544613) is 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine is CCc1nnc(NCC2(CC)CC2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is OKLWQKKPFZIONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-10-11(5-2)16-17-12(15-10)14-9-13(6-3)7-8-13/h4-9H2,1-3H3,(H,14,15,17).
What are the key properties of 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[(1-ethylcyclopropyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 106544613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).