2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine

C14H20N4 — CID 115431370

IUPAC2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCCC(CC)(CN)c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H20N4/c1-3-14(4-2,10-15)13-16-12(17-18-13)11-8-6-5-7-9-11/h5-9H,3-4,10,15H2,1-2H3,(H,16,17,18)
InChIKeyMEXXYINNFRMVQN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds5

About 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine

2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine (PubChem CID 115431370) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine
PubChem CID115431370
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine
SMILESCCC(CC)(CN)c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H20N4/c1-3-14(4-2,10-15)13-16-12(17-18-13)11-8-6-5-7-9-11/h5-9H,3-4,10,15H2,1-2H3,(H,16,17,18)
InChIKeyMEXXYINNFRMVQN-UHFFFAOYSA-N
XLogP2.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-(trichloromethyl)-1H-1,2,4-triazole
CID 59302212
4-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)propan-2-yl]aniline
CID 80549040
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
[2-ethyl-6-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]methanamine
CID 174693862
5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
CID 67608486
(1R)-3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine
CID 104904387
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
2-phenyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323367
2-methyl-3-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 62947410
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
CID 175519989
2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 115431364
3-[2-(4-methylphenyl)phenyl]-5-trityl-1H-1,2,4-triazole
CID 54032323

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine (CID 115431370) is 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine is CCC(CC)(CN)c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine?
The InChIKey is MEXXYINNFRMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-14(4-2,10-15)13-16-12(17-18-13)11-8-6-5-7-9-11/h5-9H,3-4,10,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine?
2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine is sourced from PubChem (CID 115431370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).