N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine

C11H16N4 — CID 105362658

IUPACN-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
SMILESC#CCCNc1nnc(CC)c(CC)n1
InChIInChI=1S/C11H16N4/c1-4-7-8-12-11-13-9(5-2)10(6-3)14-15-11/h1H,5-8H2,2-3H3,(H,12,13,15)
InChIKeyFOQHCPSLHMQQCF-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.43
Rot. Bonds5

About N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine

N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105362658) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105362658
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
SMILESC#CCCNc1nnc(CC)c(CC)n1
InChIInChI=1S/C11H16N4/c1-4-7-8-12-11-13-9(5-2)10(6-3)14-15-11/h1H,5-8H2,2-3H3,(H,12,13,15)
InChIKeyFOQHCPSLHMQQCF-UHFFFAOYSA-N
XLogP1.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
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
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
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105362989
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
N-(5,6-diethyl-1,2,4-triazin-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 105362365
N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429
5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
CID 105362879
N-[3-(2-aminoethoxy)propyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 106308253
4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol
CID 105362499

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine (CID 105362658) is N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine is C#CCCNc1nnc(CC)c(CC)n1.
What is the InChIKey of N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is FOQHCPSLHMQQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-7-8-12-11-13-9(5-2)10(6-3)14-15-11/h1H,5-8H2,2-3H3,(H,12,13,15).
What are the key properties of N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine?
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 204.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).