2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine

C13H18N4 — CID 63998100

IUPAC2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine
SMILESCCc1ccc(-n2cc(C(C)(C)N)nn2)cc1
InChIInChI=1S/C13H18N4/c1-4-10-5-7-11(8-6-10)17-9-12(15-16-17)13(2,3)14/h5-9H,4,14H2,1-3H3
InChIKeyDGBPRZLZWYTWFE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.02
Rot. Bonds3

About 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine

2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine (PubChem CID 63998100) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine
PubChem CID63998100
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine
SMILESCCc1ccc(-n2cc(C(C)(C)N)nn2)cc1
InChIInChI=1S/C13H18N4/c1-4-10-5-7-11(8-6-10)17-9-12(15-16-17)13(2,3)14/h5-9H,4,14H2,1-3H3
InChIKeyDGBPRZLZWYTWFE-UHFFFAOYSA-N
XLogP2.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenyltriazol-4-yl)propan-2-amine
CID 63997710
2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
CID 71755859
2-[1-(3,4-dichlorophenyl)triazol-4-yl]propan-2-amine
CID 63998520
1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine
CID 114160847
4-tert-butyl-1-(4-tert-butylphenyl)triazole
CID 162480796
4-(1-chloroethyl)-1-(4-ethylphenyl)triazole
CID 81444797
1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine
CID 66206463
1-(4-ethylphenyl)triazole-4-carbonyl chloride
CID 91895179
2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
CID 63997508
4-[4-(4-ethylphenyl)triazol-1-yl]phenol
CID 122501193
2-[1-(3,4-difluorophenyl)triazol-4-yl]butan-2-ol
CID 135135935
4-tert-butyl-1-(4-phenylphenyl)triazole
CID 168776438

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine (CID 63998100) is 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine is CCc1ccc(-n2cc(C(C)(C)N)nn2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine?
The InChIKey is DGBPRZLZWYTWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-10-5-7-11(8-6-10)17-9-12(15-16-17)13(2,3)14/h5-9H,4,14H2,1-3H3.
What are the key properties of 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine?
2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63998100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).