2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol

C21H26N4O — CID 170097888

IUPAC2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol
SMILESC=C1C=CN(C(C)C(C)Cn2cc(-c3ccc(C)cc3)nn2)C(C)=C1O
InChIInChI=1S/C21H26N4O/c1-14-6-8-19(9-7-14)20-13-24(23-22-20)12-16(3)17(4)25-11-10-15(2)21(26)18(25)5/h6-11,13,16-17,26H,2,12H2,1,3-5H3
InChIKeyFLCBPETVBKOGGZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.45
Rot. Bonds5

About 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol

2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol (PubChem CID 170097888) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol
PubChem CID170097888
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol
SMILESC=C1C=CN(C(C)C(C)Cn2cc(-c3ccc(C)cc3)nn2)C(C)=C1O
InChIInChI=1S/C21H26N4O/c1-14-6-8-19(9-7-14)20-13-24(23-22-20)12-16(3)17(4)25-11-10-15(2)21(26)18(25)5/h6-11,13,16-17,26H,2,12H2,1,3-5H3
InChIKeyFLCBPETVBKOGGZ-UHFFFAOYSA-N
XLogP4.45
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol?
The IUPAC name of 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol (CID 170097888) is 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol.
What is the SMILES notation for 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol?
The canonical SMILES for 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol is C=C1C=CN(C(C)C(C)Cn2cc(-c3ccc(C)cc3)nn2)C(C)=C1O.
What is the InChIKey of 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol?
The InChIKey is FLCBPETVBKOGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-6-8-19(9-7-14)20-13-24(23-22-20)12-16(3)17(4)25-11-10-15(2)21(26)18(25)5/h6-11,13,16-17,26H,2,12H2,1,3-5H3.
What are the key properties of 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol?
2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol has a molecular weight of 350.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-1-[3-methyl-4-[4-(4-methylphenyl)triazol-1-yl]butan-2-yl]pyridin-3-ol is sourced from PubChem (CID 170097888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).