1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine

C20H36N6 — CID 126712837

IUPAC1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine
SMILESCCc1nc(C(C)C)n(C(C)CCC(C)n2cc(NC)nc2C(C)C)n1
InChIInChI=1S/C20H36N6/c1-9-17-22-20(14(4)5)26(24-17)16(7)11-10-15(6)25-12-18(21-8)23-19(25)13(2)3/h12-16,21H,9-11H2,1-8H3
InChIKeyBGCCXQCQPLSOJH-UHFFFAOYSA-N
MW360.55 g/mol
LogP4.93
Rot. Bonds9

About 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine

1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine (PubChem CID 126712837) has the molecular formula C20H36N6 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine
PubChem CID126712837
Molecular FormulaC20H36N6
Molecular Weight360.55 g/mol
Exact Mass360.30
IUPAC Name1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine
SMILESCCc1nc(C(C)C)n(C(C)CCC(C)n2cc(NC)nc2C(C)C)n1
InChIInChI=1S/C20H36N6/c1-9-17-22-20(14(4)5)26(24-17)16(7)11-10-15(6)25-12-18(21-8)23-19(25)13(2)3/h12-16,21H,9-11H2,1-8H3
InChIKeyBGCCXQCQPLSOJH-UHFFFAOYSA-N
XLogP4.93
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine (CID 126712837) is 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine is CCc1nc(C(C)C)n(C(C)CCC(C)n2cc(NC)nc2C(C)C)n1.
What is the InChIKey of 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is BGCCXQCQPLSOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6/c1-9-17-22-20(14(4)5)26(24-17)16(7)11-10-15(6)25-12-18(21-8)23-19(25)13(2)3/h12-16,21H,9-11H2,1-8H3.
What are the key properties of 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine?
1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 360.55 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethyl-5-propan-2-yl-1,2,4-triazol-1-yl)hexan-2-yl]-N-methyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 126712837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).