4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine

C14H15N5O — CID 3071558

IUPAC4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
SMILESc1ccc2c(c1)N=C(N1CCOCC1)Cc1nncn1-2
InChIInChI=1S/C14H15N5O/c1-2-4-12-11(3-1)16-13(18-5-7-20-8-6-18)9-14-17-15-10-19(12)14/h1-4,10H,5-9H2
InChIKeyFLHMMSAWTQNWQP-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.19
Rot. Bonds

About 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine

4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine (PubChem CID 3071558) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine.

Molecular Properties

Compound Name4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
PubChem CID3071558
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
SMILESc1ccc2c(c1)N=C(N1CCOCC1)Cc1nncn1-2
InChIInChI=1S/C14H15N5O/c1-2-4-12-11(3-1)16-13(18-5-7-20-8-6-18)9-14-17-15-10-19(12)14/h1-4,10H,5-9H2
InChIKeyFLHMMSAWTQNWQP-UHFFFAOYSA-N
XLogP1.19
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine?
The IUPAC name of 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine (CID 3071558) is 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine.
What is the SMILES notation for 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine?
The canonical SMILES for 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine is c1ccc2c(c1)N=C(N1CCOCC1)Cc1nncn1-2.
What is the InChIKey of 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine?
The InChIKey is FLHMMSAWTQNWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-4-12-11(3-1)16-13(18-5-7-20-8-6-18)9-14-17-15-10-19(12)14/h1-4,10H,5-9H2.
What are the key properties of 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine?
4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine has a molecular weight of 269.31 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine is sourced from PubChem (CID 3071558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).