1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol

C14H15N3O — CID 90082611

IUPAC1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol
SMILESC=C1CCC(O)c2nnn(Cc3ccccc3)c21
InChIInChI=1S/C14H15N3O/c1-10-7-8-12(18)13-14(10)17(16-15-13)9-11-5-3-2-4-6-11/h2-6,12,18H,1,7-9H2
InChIKeyAWGJPMQFFBBOSR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.17
Rot. Bonds2

About 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol

1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol (PubChem CID 90082611) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol.

Molecular Properties

Compound Name1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol
PubChem CID90082611
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol
SMILESC=C1CCC(O)c2nnn(Cc3ccccc3)c21
InChIInChI=1S/C14H15N3O/c1-10-7-8-12(18)13-14(10)17(16-15-13)9-11-5-3-2-4-6-11/h2-6,12,18H,1,7-9H2
InChIKeyAWGJPMQFFBBOSR-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole
CID 154722743
1-benzyl-4-ethyl-5-phenyltriazole
CID 123573557
5-(1-benzyl-5-phenyltriazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine
CID 75297693
(3R,6R)-1-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)-6-methylpiperidin-3-ol
CID 138018775
3-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]triazole
CID 122379886
1-benzyl-5-butyltellanyl-4-cyclopropyltriazole
CID 71747084
2-amino-3-(benzylamino)-4-methylidenecyclohex-2-en-1-ol
CID 144590741
1-benzyl-5-methyl-4-prop-1-en-2-yltriazole
CID 134911995
1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 62916150
1-benzyl-7-iodo-6-phenyl-4H-thiopyrano[3,4-d]triazole
CID 139048654
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol
CID 22127210

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol?
The IUPAC name of 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol (CID 90082611) is 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol.
What is the SMILES notation for 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol?
The canonical SMILES for 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol is C=C1CCC(O)c2nnn(Cc3ccccc3)c21.
What is the InChIKey of 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol?
The InChIKey is AWGJPMQFFBBOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-7-8-12(18)13-14(10)17(16-15-13)9-11-5-3-2-4-6-11/h2-6,12,18H,1,7-9H2.
What are the key properties of 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol?
1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol has a molecular weight of 241.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methylidene-5,6-dihydro-4H-benzotriazol-4-ol is sourced from PubChem (CID 90082611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).