1-(aziridin-1-yl)benzotriazole

C8H8N4 — CID 137470324

IUPAC1-(aziridin-1-yl)benzotriazole
SMILESc1ccc2c(c1)nnn2N1CC1
InChIInChI=1S/C8H8N4/c1-2-4-8-7(3-1)9-10-12(8)11-5-6-11/h1-4H,5-6H2
InChIKeyZULFBNRRPOINNH-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.38
Rot. Bonds1

About 1-(aziridin-1-yl)benzotriazole

1-(aziridin-1-yl)benzotriazole (PubChem CID 137470324) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-(aziridin-1-yl)benzotriazole.

Molecular Properties

Compound Name1-(aziridin-1-yl)benzotriazole
PubChem CID137470324
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1-(aziridin-1-yl)benzotriazole
SMILESc1ccc2c(c1)nnn2N1CC1
InChIInChI=1S/C8H8N4/c1-2-4-8-7(3-1)9-10-12(8)11-5-6-11/h1-4H,5-6H2
InChIKeyZULFBNRRPOINNH-UHFFFAOYSA-N
XLogP0.38
TPSA33.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)benzotriazole
CID 71191904
argon;1-hydroxybenzotriazole
CID 87516361
copper;tetrakis(1-methylbenzotriazole);hydrate
CID 5259674
1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
CID 73012311
tris(benzotriazol-1-yl)borane
CID 101187740
benzotriazole-1-carbonitrile
CID 854385
azanium 1-oxidobenzotriazole
CID 23118068
CID 68739763
CID 68739763
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane
CID 148781712
1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 3819704
1-hydroxybenzotriazole;bis(piperidine)
CID 66619051

Frequently Asked Questions

What is the IUPAC name of 1-(aziridin-1-yl)benzotriazole?
The IUPAC name of 1-(aziridin-1-yl)benzotriazole (CID 137470324) is 1-(aziridin-1-yl)benzotriazole.
What is the SMILES notation for 1-(aziridin-1-yl)benzotriazole?
The canonical SMILES for 1-(aziridin-1-yl)benzotriazole is c1ccc2c(c1)nnn2N1CC1.
What is the InChIKey of 1-(aziridin-1-yl)benzotriazole?
The InChIKey is ZULFBNRRPOINNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-2-4-8-7(3-1)9-10-12(8)11-5-6-11/h1-4H,5-6H2.
What are the key properties of 1-(aziridin-1-yl)benzotriazole?
1-(aziridin-1-yl)benzotriazole has a molecular weight of 160.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aziridin-1-yl)benzotriazole is sourced from PubChem (CID 137470324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).