N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine

C15H28N4 — CID 112596687

IUPACN,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2(CC(C)C)CCCC2)n1CC
InChIInChI=1S/C15H28N4/c1-5-16-14-18-17-13(19(14)6-2)15(11-12(3)4)9-7-8-10-15/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyVYYBENUIDQWQED-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.59
Rot. Bonds6

About N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine

N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine (PubChem CID 112596687) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine
PubChem CID112596687
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2(CC(C)C)CCCC2)n1CC
InChIInChI=1S/C15H28N4/c1-5-16-14-18-17-13(19(14)6-2)15(11-12(3)4)9-7-8-10-15/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyVYYBENUIDQWQED-UHFFFAOYSA-N
XLogP3.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 114282225
[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol
CID 115397163
N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596825
N,4-diethyl-5-[[1-(methylamino)cyclohexyl]methyl]-1,2,4-triazol-3-amine
CID 112597464
[4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine
CID 115944109
3-N,4-diethyl-1,2,4-triazole-3,5-diamine
CID 112597568
3-(chloromethyl)-5-(1-ethylcyclopentyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113302199
N,4-diethyl-5-[1-(ethylamino)propan-2-yl]-1,2,4-triazol-3-amine
CID 112597315
5-(1-ethylcyclopentyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596499
4-(2-methylpropyl)-3-[1-(2-methylpropyl)cyclopentyl]-1H-1,2,4-triazole-5-thione
CID 115390958
5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597470
3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392819

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine (CID 112596687) is N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine is CCNc1nnc(C2(CC(C)C)CCCC2)n1CC.
What is the InChIKey of N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine?
The InChIKey is VYYBENUIDQWQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-16-14-18-17-13(19(14)6-2)15(11-12(3)4)9-7-8-10-15/h12H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine?
N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine has a molecular weight of 264.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).