triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine

C10H8N6 — CID 67858243

IUPACtriazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine
SMILESNCc1cc2cccnnc2c2nnnc12
InChIInChI=1S/C10H8N6/c11-5-7-4-6-2-1-3-12-13-8(6)10-9(7)14-16-15-10/h1-4H,5,11H2
InChIKeyGMWFADFRWDPSSC-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.43
Rot. Bonds1

About triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine

triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine (PubChem CID 67858243) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine.

Molecular Properties

Compound Nametriazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine
PubChem CID67858243
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Nametriazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine
SMILESNCc1cc2cccnnc2c2nnnc12
InChIInChI=1S/C10H8N6/c11-5-7-4-6-2-1-3-12-13-8(6)10-9(7)14-16-15-10/h1-4H,5,11H2
InChIKeyGMWFADFRWDPSSC-UHFFFAOYSA-N
XLogP0.43
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Triazolobenzodiazepine
CID 66714960
Benzo-triazolodiazepine
CID 67658199
Pyrazolobenzodiazepine
CID 68801840
Monochloro-triazolobenzodiazepine
CID 129719062
4-Fluorotriazolo[4,5-i][1,2]benzodiazepine
CID 70585918
Triazolo[4,5-i][2,3]benzodiazepine
CID 69957214
Ethanamine;triazolo[4,5-i][1,2]benzodiazepine
CID 70499316
Triazolo[4,5-i][1,2]benzodiazepin-4-amine
CID 70506769
1-diazo-2H-as-indacene-2,7-diamine
CID 87929425
Pyrrolo[2,3-g][1]benzazepin-10-amine
CID 87998284
Pyrrolo[2,3-g][1]benzazepin-2-amine
CID 88059725
2-(Benzotriazol-4-ylidene)ethanamine
CID 150743964

Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine?
The IUPAC name of triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine (CID 67858243) is triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine.
What is the SMILES notation for triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine?
The canonical SMILES for triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine is NCc1cc2cccnnc2c2nnnc12.
What is the InChIKey of triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine?
The InChIKey is GMWFADFRWDPSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c11-5-7-4-6-2-1-3-12-13-8(6)10-9(7)14-16-15-10/h1-4H,5,11H2.
What are the key properties of triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine?
triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine has a molecular weight of 212.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine is sourced from PubChem (CID 67858243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).