N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine

C15H20N4 — CID 114603414

IUPACN-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)c1ncn[nH]1
InChIInChI=1S/C15H20N4/c1-2-16-14(15-17-10-18-19-15)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-11,14,16H,2-3,5-6H2,1H3,(H,17,18,19)
InChIKeyBAFPHAQUADKRQB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds5

About N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine

N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine (PubChem CID 114603414) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
PubChem CID114603414
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C2CCC2)c1)c1ncn[nH]1
InChIInChI=1S/C15H20N4/c1-2-16-14(15-17-10-18-19-15)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-11,14,16H,2-3,5-6H2,1H3,(H,17,18,19)
InChIKeyBAFPHAQUADKRQB-UHFFFAOYSA-N
XLogP2.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105189609
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
CID 106693362
N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 114521795
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
N-[(3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360196
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine (CID 114603414) is N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine is CCNC(c1cccc(C2CCC2)c1)c1ncn[nH]1.
What is the InChIKey of N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
The InChIKey is BAFPHAQUADKRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-16-14(15-17-10-18-19-15)13-8-4-7-12(9-13)11-5-3-6-11/h4,7-11,14,16H,2-3,5-6H2,1H3,(H,17,18,19).
What are the key properties of N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine?
N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114603414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).