1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine

C12H23N5O — CID 114163207

IUPAC1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine
SMILESCCc1nnc(NCCC(N)COC)nc1CC
InChIInChI=1S/C12H23N5O/c1-4-10-11(5-2)16-17-12(15-10)14-7-6-9(13)8-18-3/h9H,4-8,13H2,1-3H3,(H,14,15,17)
InChIKeyCMMOZEKYTRFKEQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.77
Rot. Bonds8

About 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine

1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine (PubChem CID 114163207) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine
PubChem CID114163207
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine
SMILESCCc1nnc(NCCC(N)COC)nc1CC
InChIInChI=1S/C12H23N5O/c1-4-10-11(5-2)16-17-12(15-10)14-7-6-9(13)8-18-3/h9H,4-8,13H2,1-3H3,(H,14,15,17)
InChIKeyCMMOZEKYTRFKEQ-UHFFFAOYSA-N
XLogP0.77
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105362989
5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine
CID 105362667
5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine
CID 106545016
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106308253
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
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
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
N-(5,6-diethyl-1,2,4-triazin-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 105362365
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658

Frequently Asked Questions

What is the IUPAC name of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine?
The IUPAC name of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine (CID 114163207) is 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine.
What is the SMILES notation for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine?
The canonical SMILES for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine is CCc1nnc(NCCC(N)COC)nc1CC.
What is the InChIKey of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine?
The InChIKey is CMMOZEKYTRFKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-10-11(5-2)16-17-12(15-10)14-7-6-9(13)8-18-3/h9H,4-8,13H2,1-3H3,(H,14,15,17).
What are the key properties of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine?
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine has a molecular weight of 253.35 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine is sourced from PubChem (CID 114163207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).