5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine

C12H19N7 — CID 105362674

IUPAC5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCc2ncn[nH]2)nc1CC
InChIInChI=1S/C12H19N7/c1-3-9-10(4-2)17-19-12(16-9)13-7-5-6-11-14-8-15-18-11/h8H,3-7H2,1-2H3,(H,13,16,19)(H,14,15,18)
InChIKeyLGRDZNGBZZREEK-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.16
Rot. Bonds7

About 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine (PubChem CID 105362674) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine
PubChem CID105362674
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCc2ncn[nH]2)nc1CC
InChIInChI=1S/C12H19N7/c1-3-9-10(4-2)17-19-12(16-9)13-7-5-6-11-14-8-15-18-11/h8H,3-7H2,1-2H3,(H,13,16,19)(H,14,15,18)
InChIKeyLGRDZNGBZZREEK-UHFFFAOYSA-N
XLogP1.16
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine
CID 105362857
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
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
CID 105362593
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363386
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
N-(3-methylsulfanylpropyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64519754
5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
5,6-diethyl-N-(1H-pyrazol-5-ylmethyl)-1,2,4-triazin-3-amine
CID 114985339
5-heptadecyl-1H-1,2,4-triazole
CID 558137

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine (CID 105362674) is 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine is CCc1nnc(NCCCc2ncn[nH]2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine?
The InChIKey is LGRDZNGBZZREEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-3-9-10(4-2)17-19-12(16-9)13-7-5-6-11-14-8-15-18-11/h8H,3-7H2,1-2H3,(H,13,16,19)(H,14,15,18).
What are the key properties of 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine has a molecular weight of 261.33 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).