1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine

C15H22N4O — CID 106227126

IUPAC1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine
SMILESCCC(C)Oc1cccc(-n2cc(C(N)CC)nn2)c1
InChIInChI=1S/C15H22N4O/c1-4-11(3)20-13-8-6-7-12(9-13)19-10-15(17-18-19)14(16)5-2/h6-11,14H,4-5,16H2,1-3H3
InChIKeyZPINPPIBHBKKQE-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.85
Rot. Bonds6

About 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine

1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine (PubChem CID 106227126) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine
PubChem CID106227126
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine
SMILESCCC(C)Oc1cccc(-n2cc(C(N)CC)nn2)c1
InChIInChI=1S/C15H22N4O/c1-4-11(3)20-13-8-6-7-12(9-13)19-10-15(17-18-19)14(16)5-2/h6-11,14H,4-5,16H2,1-3H3
InChIKeyZPINPPIBHBKKQE-UHFFFAOYSA-N
XLogP2.85
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226775
1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine
CID 106227230
1-[1-(3-chloro-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226670
1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine
CID 114160847
1-[1-(3-iodophenyl)triazol-4-yl]butan-1-amine
CID 114160881
1-[1-(3-chloro-2-fluorophenyl)triazol-4-yl]propan-1-amine
CID 106226838
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
1-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106227272
1-[1-(2-bromo-5-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 106227192
3-butan-2-yloxybenzenediazonium
CID 82972983
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
1-[1-(2,4,5-trichlorophenyl)triazol-4-yl]propan-1-amine
CID 106226938

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine (CID 106227126) is 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine is CCC(C)Oc1cccc(-n2cc(C(N)CC)nn2)c1.
What is the InChIKey of 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine?
The InChIKey is ZPINPPIBHBKKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-11(3)20-13-8-6-7-12(9-13)19-10-15(17-18-19)14(16)5-2/h6-11,14H,4-5,16H2,1-3H3.
What are the key properties of 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine?
1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106227126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).