2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine

C12H16N4O — CID 114688531

IUPAC2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
SMILESCOC(C)C(N)c1cnnn1-c1ccccc1
InChIInChI=1S/C12H16N4O/c1-9(17-2)12(13)11-8-14-15-16(11)10-6-4-3-5-7-10/h3-9,12H,13H2,1-2H3
InChIKeyKPDVTOJKZDUTDH-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.30
Rot. Bonds4

About 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine

2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine (PubChem CID 114688531) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
PubChem CID114688531
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
SMILESCOC(C)C(N)c1cnnn1-c1ccccc1
InChIInChI=1S/C12H16N4O/c1-9(17-2)12(13)11-8-14-15-16(11)10-6-4-3-5-7-10/h3-9,12H,13H2,1-2H3
InChIKeyKPDVTOJKZDUTDH-UHFFFAOYSA-N
XLogP1.30
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687525
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080
1-[3-(4-fluorophenyl)triazol-4-yl]ethanamine
CID 117167368
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
tert-butyl 2-(3-phenyltriazol-4-yl)propanoate
CID 114690012
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
N-ethyl-4-methoxy-1-(3-phenyltriazol-4-yl)pentan-1-amine
CID 105184380
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
2-methylsulfonyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 115835918
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine (CID 114688531) is 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine is COC(C)C(N)c1cnnn1-c1ccccc1.
What is the InChIKey of 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine?
The InChIKey is KPDVTOJKZDUTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(17-2)12(13)11-8-14-15-16(11)10-6-4-3-5-7-10/h3-9,12H,13H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine?
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 114688531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).