[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol

C18H20N4O — CID 94939615

IUPAC[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(-c2c(CO)nnn2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N4O/c1-13-4-6-14(7-5-13)18-17(12-23)19-20-22(18)16-10-8-15(9-11-16)21(2)3/h4-11,23H,12H2,1-3H3
InChIKeyVVOQQWVKYPAKKQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.80
Rot. Bonds4

About [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol

[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol (PubChem CID 94939615) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol
PubChem CID94939615
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(-c2c(CO)nnn2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N4O/c1-13-4-6-14(7-5-13)18-17(12-23)19-20-22(18)16-10-8-15(9-11-16)21(2)3/h4-11,23H,12H2,1-3H3
InChIKeyVVOQQWVKYPAKKQ-UHFFFAOYSA-N
XLogP2.80
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
[1-(4-methylphenyl)-5-pyridin-2-yltriazol-4-yl]methanol
CID 56686681
[5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769459
4-(chloromethyl)-5-(4-chlorophenyl)-1-(4-methylphenyl)triazole
CID 56769724
[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 82195103
4-(chloromethyl)-5-(4-fluorophenyl)-1-(4-methylphenyl)triazole
CID 56769745
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
4-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]-N,N-dimethylaniline
CID 94939636
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003
4-(chloromethyl)-5-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]triazole
CID 56769776
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82198742

Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol (CID 94939615) is [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol is Cc1ccc(-c2c(CO)nnn2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol?
The InChIKey is VVOQQWVKYPAKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-4-6-14(7-5-13)18-17(12-23)19-20-22(18)16-10-8-15(9-11-16)21(2)3/h4-11,23H,12H2,1-3H3.
What are the key properties of [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol?
[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol has a molecular weight of 308.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 94939615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).