5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine

C15H28N4 — CID 102913857

IUPAC5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(C(C)C)C(C)C)nc1CC
InChIInChI=1S/C15H28N4/c1-7-13-14(8-2)18-19-15(17-13)16-9-12(10(3)4)11(5)6/h10-12H,7-9H2,1-6H3,(H,16,17,19)
InChIKeyQYGJZWSNDKYDCH-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.34
Rot. Bonds7

About 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine (PubChem CID 102913857) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine
PubChem CID102913857
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(C(C)C)C(C)C)nc1CC
InChIInChI=1S/C15H28N4/c1-7-13-14(8-2)18-19-15(17-13)16-9-12(10(3)4)11(5)6/h10-12H,7-9H2,1-6H3,(H,16,17,19)
InChIKeyQYGJZWSNDKYDCH-UHFFFAOYSA-N
XLogP3.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine (CID 102913857) is 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine is CCc1nnc(NCC(C(C)C)C(C)C)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine?
The InChIKey is QYGJZWSNDKYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-7-13-14(8-2)18-19-15(17-13)16-9-12(10(3)4)11(5)6/h10-12H,7-9H2,1-6H3,(H,16,17,19).
What are the key properties of 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine has a molecular weight of 264.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 102913857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).