N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine

C15H22N4 — CID 112596935

IUPACN,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C(C)(C)c2ccccc2)n1CC
InChIInChI=1S/C15H22N4/c1-5-16-14-18-17-13(19(14)6-2)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyFKRTUXVVADMWDS-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.06
Rot. Bonds5

About N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine

N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine (PubChem CID 112596935) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine
PubChem CID112596935
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C(C)(C)c2ccccc2)n1CC
InChIInChI=1S/C15H22N4/c1-5-16-14-18-17-13(19(14)6-2)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyFKRTUXVVADMWDS-UHFFFAOYSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-ethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392659
5-(1-amino-1-phenylethyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597195
N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
CID 112596739
N,4-diethyl-5-isoquinolin-1-yl-1,2,4-triazol-3-amine
CID 115945460
2-phenylpropan-2-ylbenzene
CID 13065
5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596633
5-(3-bromo-2-pyridinyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107517319
N,4-diethyl-5-(3-fluoro-4-methylphenyl)-1,2,4-triazol-3-amine
CID 112596797
5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]-2-methylphenol
CID 112596621
5-(2,4-dibromophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 107938614
6-bromo-3-(2-phenylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 130277759
2-[5-(2-phenylpropan-2-yl)tetrazol-1-yl]ethanamine
CID 63084683

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine (CID 112596935) is N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine is CCNc1nnc(C(C)(C)c2ccccc2)n1CC.
What is the InChIKey of N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is FKRTUXVVADMWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-16-14-18-17-13(19(14)6-2)15(3,4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,16,18).
What are the key properties of N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 258.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(2-phenylpropan-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).