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

C14H26N4O — CID 106545016

IUPAC5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(C)(C)CCOC)nc1CC
InChIInChI=1S/C14H26N4O/c1-6-11-12(7-2)17-18-13(16-11)15-10-14(3,4)8-9-19-5/h6-10H2,1-5H3,(H,15,16,18)
InChIKeyMSRIUISWXBINDT-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.47
Rot. Bonds8

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

5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine (PubChem CID 106545016) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine
PubChem CID106545016
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(C)(C)CCOC)nc1CC
InChIInChI=1S/C14H26N4O/c1-6-11-12(7-2)17-18-13(16-11)15-10-14(3,4)8-9-19-5/h6-10H2,1-5H3,(H,15,16,18)
InChIKeyMSRIUISWXBINDT-UHFFFAOYSA-N
XLogP2.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine (CID 106545016) is 5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine is CCc1nnc(NCC(C)(C)CCOC)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine?
The InChIKey is MSRIUISWXBINDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-11-12(7-2)17-18-13(16-11)15-10-14(3,4)8-9-19-5/h6-10H2,1-5H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 2.47, 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-(4-methoxy-2,2-dimethylbutyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 106545016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).