3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol

C19H22N4O — CID 56889521

IUPAC3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C19H22N4O/c1-22(13-12-19(24)16-8-4-2-5-9-16)14-17-15-23(21-20-17)18-10-6-3-7-11-18/h2-11,15,19,24H,12-14H2,1H3
InChIKeyQEGIFVAXMBECMH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.82
Rot. Bonds7

About 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol

3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol (PubChem CID 56889521) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
PubChem CID56889521
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C19H22N4O/c1-22(13-12-19(24)16-8-4-2-5-9-16)14-17-15-23(21-20-17)18-10-6-3-7-11-18/h2-11,15,19,24H,12-14H2,1H3
InChIKeyQEGIFVAXMBECMH-UHFFFAOYSA-N
XLogP2.82
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
4-(4-Benzyltriazol-1-yl)phenol
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2-[(4-Benzyltriazol-1-yl)methyl]phenol
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1-[2-[4-(4-Octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
CID 72736217
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175
(1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
CID 3859567
Antileishmanial agent-1
CID 162640604
2-[4-(4-Octyltriazol-1-yl)phenyl]ethanol
CID 72736019
1-[2-[4-(4-Butyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
CID 72736215
3-[1-[(1-Phenyltriazol-4-yl)methyl]piperidin-4-yl]phenol
CID 118173404
2,2,2-Trifluoro-1-[2,3,5,6-tetrafluoro-4-(4-phenyltriazol-1-yl)phenyl]ethanol
CID 171351856
2-[4-(Morpholin-4-ylmethyl)triazol-1-yl]-1-phenylethanol
CID 46863265

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol (CID 56889521) is 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol?
The InChIKey is QEGIFVAXMBECMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22(13-12-19(24)16-8-4-2-5-9-16)14-17-15-23(21-20-17)18-10-6-3-7-11-18/h2-11,15,19,24H,12-14H2,1H3.
What are the key properties of 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol?
3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-phenyltriazol-4-yl)methyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 56889521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).