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

C19H24N6O — CID 129483872

IUPAC(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCn1ccnc1[C@@H](NCc1cnn(-c2ccccc2)n1)C1CCOCC1
InChIInChI=1S/C19H24N6O/c1-24-10-9-20-19(24)18(15-7-11-26-12-8-15)21-13-16-14-22-25(23-16)17-5-3-2-4-6-17/h2-6,9-10,14-15,18,21H,7-8,11-13H2,1H3/t18-/m0/s1
InChIKeyOEDLXSBCEWIIMJ-SFHVURJKSA-N
MW352.44 g/mol
LogP2.26
Rot. Bonds6

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

(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 129483872) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
PubChem CID129483872
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCn1ccnc1[C@@H](NCc1cnn(-c2ccccc2)n1)C1CCOCC1
InChIInChI=1S/C19H24N6O/c1-24-10-9-20-19(24)18(15-7-11-26-12-8-15)21-13-16-14-22-25(23-16)17-5-3-2-4-6-17/h2-6,9-10,14-15,18,21H,7-8,11-13H2,1H3/t18-/m0/s1
InChIKeyOEDLXSBCEWIIMJ-SFHVURJKSA-N
XLogP2.26
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103769065
(1S)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483478
(1R)-1-(1-methylimidazol-2-yl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 100706227
4-[[[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]benzonitrile
CID 128976489
(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483407
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 128976525
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483597
(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
CID 129482196
4-[[2-(oxolan-3-yl)imidazol-1-yl]methyl]-2-phenyltriazole
CID 56916869
3-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzenesulfonamide
CID 128975568
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (CID 129483872) is (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is Cn1ccnc1[C@@H](NCc1cnn(-c2ccccc2)n1)C1CCOCC1.
What is the InChIKey of (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is OEDLXSBCEWIIMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N6O/c1-24-10-9-20-19(24)18(15-7-11-26-12-8-15)21-13-16-14-22-25(23-16)17-5-3-2-4-6-17/h2-6,9-10,14-15,18,21H,7-8,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 352.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 129483872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).