2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol

C19H24N6O — CID 150398320

IUPAC2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol
SMILESC=C(CC)C(c1cn[nH]n1)(c1cn[nH]n1)c1c(C)c(C)c(C)c(C)c1O
InChIInChI=1S/C19H24N6O/c1-7-10(2)19(15-8-20-24-22-15,16-9-21-25-23-16)17-13(5)11(3)12(4)14(6)18(17)26/h8-9,26H,2,7H2,1,3-6H3,(H,20,22,24)(H,21,23,25)
InChIKeyHDFJUOJFVOVYBB-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.16
Rot. Bonds5

About 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol

2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol (PubChem CID 150398320) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol
PubChem CID150398320
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol
SMILESC=C(CC)C(c1cn[nH]n1)(c1cn[nH]n1)c1c(C)c(C)c(C)c(C)c1O
InChIInChI=1S/C19H24N6O/c1-7-10(2)19(15-8-20-24-22-15,16-9-21-25-23-16)17-13(5)11(3)12(4)14(6)18(17)26/h8-9,26H,2,7H2,1,3-6H3,(H,20,22,24)(H,21,23,25)
InChIKeyHDFJUOJFVOVYBB-UHFFFAOYSA-N
XLogP3.16
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-2H-triazole
CID 20507674
ethane;4-(trifluoromethyl)-2H-triazole
CID 177142092
1,1,1-trifluoro-2-(2H-triazol-4-yl)butan-2-ol
CID 67036528
(2S)-1,1,1-trifluoro-2-(2H-triazol-4-yl)butan-2-ol
CID 141217161
4-[dichloro-[dichloro(2H-triazol-4-yl)methyl]sulfanylmethyl]-2H-triazole
CID 140973279
ethyl 2-methyl-2-[2-(2H-triazol-4-yl)-1,3-thiazol-4-yl]propanoate
CID 113369821
ethane;ethene;4-methyl-2H-triazole
CID 143611255
CID 175018731
CID 175018731
4-(2-azidopropan-2-yl)-2H-triazole
CID 14359210
4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole
CID 122466877
4-(4-chloro-3-fluoro-2-methylphenyl)-2H-triazole
CID 90060329
dimethyl-bis(2H-triazol-4-yl)silane
CID 22468100

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol?
The IUPAC name of 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol (CID 150398320) is 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol?
The canonical SMILES for 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol is C=C(CC)C(c1cn[nH]n1)(c1cn[nH]n1)c1c(C)c(C)c(C)c(C)c1O.
What is the InChIKey of 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol?
The InChIKey is HDFJUOJFVOVYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-7-10(2)19(15-8-20-24-22-15,16-9-21-25-23-16)17-13(5)11(3)12(4)14(6)18(17)26/h8-9,26H,2,7H2,1,3-6H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol?
2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol has a molecular weight of 352.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-[2-methylidene-1,1-bis(2H-triazol-4-yl)butyl]phenol is sourced from PubChem (CID 150398320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).