1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole

C12H11N3 — CID 24884001

IUPAC1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole
SMILESC1=CC(Cn2nnc3ccccc32)C=C1
InChIInChI=1S/C12H11N3/c1-2-6-10(5-1)9-15-12-8-4-3-7-11(12)13-14-15/h1-8,10H,9H2
InChIKeyIWKAIELUGNSAHE-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.17
Rot. Bonds2

About 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole

1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole (PubChem CID 24884001) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole
PubChem CID24884001
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole
SMILESC1=CC(Cn2nnc3ccccc32)C=C1
InChIInChI=1S/C12H11N3/c1-2-6-10(5-1)9-15-12-8-4-3-7-11(12)13-14-15/h1-8,10H,9H2
InChIKeyIWKAIELUGNSAHE-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
CID 15397533
5-(benzotriazol-1-ylmethyl)oxolane-2-carboxylic acid
CID 62299948
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622
1-(benzotriazol-1-ylmethylsulfinylmethyl)benzotriazole
CID 3765882
2-(benzotriazol-1-yl)acetonitrile
CID 139073743
N-[[5-(benzotriazol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
CID 62448559
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
1-(3-chloropropyl)benzotriazole
CID 5243938
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-[(E)-3-chloroprop-2-enyl]benzotriazole
CID 6037442
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole?
The IUPAC name of 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole (CID 24884001) is 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole.
What is the SMILES notation for 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole?
The canonical SMILES for 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole is C1=CC(Cn2nnc3ccccc32)C=C1.
What is the InChIKey of 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole?
The InChIKey is IWKAIELUGNSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-6-10(5-1)9-15-12-8-4-3-7-11(12)13-14-15/h1-8,10H,9H2.
What are the key properties of 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole?
1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole has a molecular weight of 197.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole is sourced from PubChem (CID 24884001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).