6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine

C15H25N7 — CID 175118511

IUPAC6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCc1c(C)nc(CC)n1-c1nc(N)nc(N)n1
InChIInChI=1S/C15H25N7/c1-4-6-7-8-9-11-10(3)18-12(5-2)22(11)15-20-13(16)19-14(17)21-15/h4-9H2,1-3H3,(H4,16,17,19,20,21)
InChIKeyMLLVPNCRWYMXMZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.22
Rot. Bonds7

About 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine

6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175118511) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175118511
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCc1c(C)nc(CC)n1-c1nc(N)nc(N)n1
InChIInChI=1S/C15H25N7/c1-4-6-7-8-9-11-10(3)18-12(5-2)22(11)15-20-13(16)19-14(17)21-15/h4-9H2,1-3H3,(H4,16,17,19,20,21)
InChIKeyMLLVPNCRWYMXMZ-UHFFFAOYSA-N
XLogP2.22
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 175118511) is 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is CCCCCCc1c(C)nc(CC)n1-c1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MLLVPNCRWYMXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7/c1-4-6-7-8-9-11-10(3)18-12(5-2)22(11)15-20-13(16)19-14(17)21-15/h4-9H2,1-3H3,(H4,16,17,19,20,21).
What are the key properties of 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 303.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-hexyl-4-methylimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175118511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).