[4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine

C16H30N4 — CID 115944109

IUPAC[4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)CC1(c2nnc(CN)n2C(C)(C)C)CCCC1
InChIInChI=1S/C16H30N4/c1-12(2)10-16(8-6-7-9-16)14-19-18-13(11-17)20(14)15(3,4)5/h12H,6-11,17H2,1-5H3
InChIKeyUUDCSVKIQQLDBV-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.35
Rot. Bonds4

About [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine

[4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 115944109) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID115944109
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name[4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)CC1(c2nnc(CN)n2C(C)(C)C)CCCC1
InChIInChI=1S/C16H30N4/c1-12(2)10-16(8-6-7-9-16)14-19-18-13(11-17)20(14)15(3,4)5/h12H,6-11,17H2,1-5H3
InChIKeyUUDCSVKIQQLDBV-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine (CID 115944109) is [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine is CC(C)CC1(c2nnc(CN)n2C(C)(C)C)CCCC1.
What is the InChIKey of [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is UUDCSVKIQQLDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)10-16(8-6-7-9-16)14-19-18-13(11-17)20(14)15(3,4)5/h12H,6-11,17H2,1-5H3.
What are the key properties of [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine?
[4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 278.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 115944109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).