1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine

C13H18N4 — CID 114160847

IUPAC1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine
SMILESCCc1ccc(-n2cc(C(N)CC)nn2)cc1
InChIInChI=1S/C13H18N4/c1-3-10-5-7-11(8-6-10)17-9-13(15-16-17)12(14)4-2/h5-9,12H,3-4,14H2,1-2H3
InChIKeyIZGSLJKXULMQQY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.24
Rot. Bonds4

About 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine

1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine (PubChem CID 114160847) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine
PubChem CID114160847
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine
SMILESCCc1ccc(-n2cc(C(N)CC)nn2)cc1
InChIInChI=1S/C13H18N4/c1-3-10-5-7-11(8-6-10)17-9-13(15-16-17)12(14)4-2/h5-9,12H,3-4,14H2,1-2H3
InChIKeyIZGSLJKXULMQQY-UHFFFAOYSA-N
XLogP2.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-chloroethyl)-1-(4-ethylphenyl)triazole
CID 81444797
1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226775
1-[1-(3-chloro-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226670
1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine
CID 106227230
1-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106227272
2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine
CID 63998100
1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine
CID 106227126
1-[1-(2,4,5-trichlorophenyl)triazol-4-yl]propan-1-amine
CID 106226938
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine
CID 66206463
1-(4-ethylphenyl)triazole-4-carbonyl chloride
CID 91895179
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine (CID 114160847) is 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine is CCc1ccc(-n2cc(C(N)CC)nn2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine?
The InChIKey is IZGSLJKXULMQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-10-5-7-11(8-6-10)17-9-13(15-16-17)12(14)4-2/h5-9,12H,3-4,14H2,1-2H3.
What are the key properties of 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine?
1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 114160847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).