2-(benzotriazol-4-ylidene)ethanamine

C8H8N4 — CID 150743964

IUPAC2-(benzotriazol-4-ylidene)ethanamine
SMILESNCC=c1cccc2c1=NN=N2
InChIInChI=1S/C8H8N4/c9-5-4-6-2-1-3-7-8(6)11-12-10-7/h1-4H,5,9H2
InChIKeyJULCGTVLZAZRCE-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.06
Rot. Bonds1

About 2-(benzotriazol-4-ylidene)ethanamine

2-(benzotriazol-4-ylidene)ethanamine (PubChem CID 150743964) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(benzotriazol-4-ylidene)ethanamine.

Molecular Properties

Compound Name2-(benzotriazol-4-ylidene)ethanamine
PubChem CID150743964
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-(benzotriazol-4-ylidene)ethanamine
SMILESNCC=c1cccc2c1=NN=N2
InChIInChI=1S/C8H8N4/c9-5-4-6-2-1-3-7-8(6)11-12-10-7/h1-4H,5,9H2
InChIKeyJULCGTVLZAZRCE-UHFFFAOYSA-N
XLogP0.06
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2H-indol-6-amine
CID 59274943
Triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine
CID 67858243
Ethanamine;triazolo[4,5-i][1,2]benzodiazepine
CID 70499316
6-Diazocyclohexa-2,4-diene-1,2-diamine
CID 87243053
1-diazo-2H-as-indacene-2,7-diamine
CID 87929425
6-methyl-3aH-benzotriazol-5-amine
CID 168999365
Ethanamine;4-imino-3-methylidenecyclohexa-1,5-dien-1-amine
CID 172622553
N-[2-(benzotriazol-4-ylidene)ethyl]butan-1-amine
CID 175212689
(4-Methylidenebenzotriazol-5-yl)methanamine
CID 175218702
N-butylbutan-1-amine;4-methylidenebenzotriazole
CID 175299950
4-methylidene-N-prop-2-enylbenzotriazol-5-amine
CID 175527852
3-(2-aminoethyl)-2H-indol-5-amine
CID 124517523

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-4-ylidene)ethanamine?
The IUPAC name of 2-(benzotriazol-4-ylidene)ethanamine (CID 150743964) is 2-(benzotriazol-4-ylidene)ethanamine.
What is the SMILES notation for 2-(benzotriazol-4-ylidene)ethanamine?
The canonical SMILES for 2-(benzotriazol-4-ylidene)ethanamine is NCC=c1cccc2c1=NN=N2.
What is the InChIKey of 2-(benzotriazol-4-ylidene)ethanamine?
The InChIKey is JULCGTVLZAZRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-5-4-6-2-1-3-7-8(6)11-12-10-7/h1-4H,5,9H2.
What are the key properties of 2-(benzotriazol-4-ylidene)ethanamine?
2-(benzotriazol-4-ylidene)ethanamine has a molecular weight of 160.18 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-4-ylidene)ethanamine is sourced from PubChem (CID 150743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).