5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine

C13H20N6 — CID 105362808

IUPAC5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCn2cccn2)nc1CC
InChIInChI=1S/C13H20N6/c1-3-11-12(4-2)17-18-13(16-11)14-7-5-9-19-10-6-8-15-19/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,16,18)
InChIKeyRKIPGCBRKVAYHN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds7

About 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine (PubChem CID 105362808) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
PubChem CID105362808
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCn2cccn2)nc1CC
InChIInChI=1S/C13H20N6/c1-3-11-12(4-2)17-18-13(16-11)14-7-5-9-19-10-6-8-15-19/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,16,18)
InChIKeyRKIPGCBRKVAYHN-UHFFFAOYSA-N
XLogP1.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 105362496
4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115681727
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
6-methyl-2-(3-pyrazol-1-ylpropylamino)pyrimidine-4-carbothioamide
CID 107548008
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821
5-methyl-4-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)pyrimidin-2-amine
CID 46990189
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
CID 105362032
4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579674
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine
CID 113412388

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine (CID 105362808) is 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine is CCc1nnc(NCCCn2cccn2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine?
The InChIKey is RKIPGCBRKVAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-11-12(4-2)17-18-13(16-11)14-7-5-9-19-10-6-8-15-19/h6,8,10H,3-5,7,9H2,1-2H3,(H,14,16,18).
What are the key properties of 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine has a molecular weight of 260.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).