3,8-dihydrotriazolo[5,1-a]isoindol-2-amine

C9H10N4 — CID 21455319

IUPAC3,8-dihydrotriazolo[5,1-a]isoindol-2-amine
SMILESNN1C=c2c3c(cn2N1)C=CCC=3
InChIInChI=1S/C9H10N4/c10-13-6-9-8-4-2-1-3-7(8)5-12(9)11-13/h1,3-6,11H,2,10H2
InChIKeyVAMSLXFNRMNECW-UHFFFAOYSA-N
MW174.21 g/mol
LogP-0.93
Rot. Bonds

About 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine

3,8-dihydrotriazolo[5,1-a]isoindol-2-amine (PubChem CID 21455319) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine.

Molecular Properties

Compound Name3,8-dihydrotriazolo[5,1-a]isoindol-2-amine
PubChem CID21455319
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name3,8-dihydrotriazolo[5,1-a]isoindol-2-amine
SMILESNN1C=c2c3c(cn2N1)C=CCC=3
InChIInChI=1S/C9H10N4/c10-13-6-9-8-4-2-1-3-7(8)5-12(9)11-13/h1,3-6,11H,2,10H2
InChIKeyVAMSLXFNRMNECW-UHFFFAOYSA-N
XLogP-0.93
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

CID 123432705
CID 123432705
CID 117825621
CID 117825621
CID 139471403
CID 139471403
CID 146531965
CID 146531965
CID 148548376
CID 148548376
CID 154508403
CID 154508403

Frequently Asked Questions

What is the IUPAC name of 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine?
The IUPAC name of 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine (CID 21455319) is 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine.
What is the SMILES notation for 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine?
The canonical SMILES for 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine is NN1C=c2c3c(cn2N1)C=CCC=3.
What is the InChIKey of 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine?
The InChIKey is VAMSLXFNRMNECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-13-6-9-8-4-2-1-3-7(8)5-12(9)11-13/h1,3-6,11H,2,10H2.
What are the key properties of 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine?
3,8-dihydrotriazolo[5,1-a]isoindol-2-amine has a molecular weight of 174.21 g/mol, XLogP of -0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydrotriazolo[5,1-a]isoindol-2-amine is sourced from PubChem (CID 21455319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).