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

C11H21N5 — CID 105362989

IUPAC1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
SMILESCCc1nnc(NCCC(C)N)nc1CC
InChIInChI=1S/C11H21N5/c1-4-9-10(5-2)15-16-11(14-9)13-7-6-8(3)12/h8H,4-7,12H2,1-3H3,(H,13,14,16)
InChIKeySQORFVLTCPDGQV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.15
Rot. Bonds6

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

1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine (PubChem CID 105362989) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
PubChem CID105362989
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
SMILESCCc1nnc(NCCC(C)N)nc1CC
InChIInChI=1S/C11H21N5/c1-4-9-10(5-2)15-16-11(14-9)13-7-6-8(3)12/h8H,4-7,12H2,1-3H3,(H,13,14,16)
InChIKeySQORFVLTCPDGQV-UHFFFAOYSA-N
XLogP1.15
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine
CID 114163207
N-(5,6-diethyl-1,2,4-triazin-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 105362365
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methylpentane-1,2-diamine
CID 107159279
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
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
3-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105363517
2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]acetamide
CID 105362361
N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106308253

Frequently Asked Questions

What is the IUPAC name of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine (CID 105362989) is 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine is CCc1nnc(NCCC(C)N)nc1CC.
What is the InChIKey of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The InChIKey is SQORFVLTCPDGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-9-10(5-2)15-16-11(14-9)13-7-6-8(3)12/h8H,4-7,12H2,1-3H3,(H,13,14,16).
What are the key properties of 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine is sourced from PubChem (CID 105362989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).