benzotriazol-2-ylalumane

C6H6AlN3 — CID 154405892

IUPACbenzotriazol-2-ylalumane
SMILES[AlH2]n1nc2ccccc2n1
InChIInChI=1S/C6H4N3.Al.2H/c1-2-4-6-5(3-1)7-9-8-6;;;/h1-4H;;;/q-1;+1;;
InChIKeyUIUVQWPOTFHLAJ-UHFFFAOYSA-N
MW147.12 g/mol
LogP-0.17
Rot. Bonds

About benzotriazol-2-ylalumane

benzotriazol-2-ylalumane (PubChem CID 154405892) has the molecular formula C6H6AlN3 and a molecular weight of 147.12 g/mol. Its IUPAC name is benzotriazol-2-ylalumane.

Molecular Properties

Compound Namebenzotriazol-2-ylalumane
PubChem CID154405892
Molecular FormulaC6H6AlN3
Molecular Weight147.12 g/mol
Exact Mass147.04
IUPAC Namebenzotriazol-2-ylalumane
SMILES[AlH2]n1nc2ccccc2n1
InChIInChI=1S/C6H4N3.Al.2H/c1-2-4-6-5(3-1)7-9-8-6;;;/h1-4H;;;/q-1;+1;;
InChIKeyUIUVQWPOTFHLAJ-UHFFFAOYSA-N
XLogP-0.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodobenzotriazole
CID 121405033
2-(benzotriazol-2-yldisulfanyl)benzotriazole
CID 118249510
2-ethynylbenzotriazole
CID 102079904
2-[(2S,3S)-3-(benzotriazol-2-yl)butan-2-yl]benzotriazole
CID 40530281
2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole
CID 139251484
benzotriazol-2-yl(trimethoxy)silane
CID 86005679
2-methylsulfonylbenzotriazole
CID 10397800
4-(benzotriazol-2-yl)phenol
CID 164896201
2-(benzotriazol-2-yl)ethanamine
CID 10487202
2-(tribromomethylsulfonyl)benzotriazole
CID 23330690
2-(benzotriazol-2-yl)acetonitrile
CID 640743
benzotriazole-2-carboxylic acid;ethane
CID 90724390

Frequently Asked Questions

What is the IUPAC name of benzotriazol-2-ylalumane?
The IUPAC name of benzotriazol-2-ylalumane (CID 154405892) is benzotriazol-2-ylalumane.
What is the SMILES notation for benzotriazol-2-ylalumane?
The canonical SMILES for benzotriazol-2-ylalumane is [AlH2]n1nc2ccccc2n1.
What is the InChIKey of benzotriazol-2-ylalumane?
The InChIKey is UIUVQWPOTFHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3.Al.2H/c1-2-4-6-5(3-1)7-9-8-6;;;/h1-4H;;;/q-1;+1;;.
What are the key properties of benzotriazol-2-ylalumane?
benzotriazol-2-ylalumane has a molecular weight of 147.12 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-2-ylalumane is sourced from PubChem (CID 154405892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).