1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

C15H20N4O — CID 61019320

IUPAC1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2ncc(CNCC3CCCOC3)n2)cc1
InChIInChI=1S/C15H20N4O/c1-2-6-15(7-3-1)19-17-11-14(18-19)10-16-9-13-5-4-8-20-12-13/h1-3,6-7,11,13,16H,4-5,8-10,12H2
InChIKeyHSEUNRGZFNBMOP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds5

About 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 61019320) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
PubChem CID61019320
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2ncc(CNCC3CCCOC3)n2)cc1
InChIInChI=1S/C15H20N4O/c1-2-6-15(7-3-1)19-17-11-14(18-19)10-16-9-13-5-4-8-20-12-13/h1-3,6-7,11,13,16H,4-5,8-10,12H2
InChIKeyHSEUNRGZFNBMOP-UHFFFAOYSA-N
XLogP1.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 60957859
N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 78921663
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95290386
2-(oxan-2-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103992948
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
CID 83228649
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
CID 103838747
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 64799314
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103769065
1-(oxan-3-yl)-N-[(5-phenylthiophen-2-yl)methyl]methanamine
CID 61019456

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (CID 61019320) is 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is c1ccc(-n2ncc(CNCC3CCCOC3)n2)cc1.
What is the InChIKey of 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is HSEUNRGZFNBMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-6-15(7-3-1)19-17-11-14(18-19)10-16-9-13-5-4-8-20-12-13/h1-3,6-7,11,13,16H,4-5,8-10,12H2.
What are the key properties of 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61019320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).