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

C16H22N4O — CID 105362593

IUPAC5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOc2ccccc2)nc1CC
InChIInChI=1S/C16H22N4O/c1-3-14-15(4-2)19-20-16(18-14)17-11-8-12-21-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18,20)
InChIKeySCRGOLIXOUOUMW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.88
Rot. Bonds8

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

5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine (PubChem CID 105362593) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
PubChem CID105362593
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOc2ccccc2)nc1CC
InChIInChI=1S/C16H22N4O/c1-3-14-15(4-2)19-20-16(18-14)17-11-8-12-21-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18,20)
InChIKeySCRGOLIXOUOUMW-UHFFFAOYSA-N
XLogP2.88
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
CID 104839983
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
5,6-diethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2,4-triazin-3-amine
CID 105362674
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
N-methyl-3-phenoxypropan-1-amine
CID 22067856
5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
CID 80826774
N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204068
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)-4-methoxybutane-1,3-diamine
CID 114163207
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine (CID 105362593) is 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine is CCc1nnc(NCCCOc2ccccc2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine?
The InChIKey is SCRGOLIXOUOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-14-15(4-2)19-20-16(18-14)17-11-8-12-21-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18,20).
What are the key properties of 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(3-phenoxypropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).