pyrrolo[1,2-d][1,2,4]triazepin-5-one

C7H5N3O — CID 141113797

IUPACpyrrolo[1,2-d][1,2,4]triazepin-5-one
SMILESO=c1cnncn2cccc12
InChIInChI=1S/C7H5N3O/c11-7-4-8-9-5-10-3-1-2-6(7)10/h1-5H
InChIKeyKTJOQWXNIRWYNO-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.09
Rot. Bonds

About pyrrolo[1,2-d][1,2,4]triazepin-5-one

pyrrolo[1,2-d][1,2,4]triazepin-5-one (PubChem CID 141113797) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is pyrrolo[1,2-d][1,2,4]triazepin-5-one.

Molecular Properties

Compound Namepyrrolo[1,2-d][1,2,4]triazepin-5-one
PubChem CID141113797
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Namepyrrolo[1,2-d][1,2,4]triazepin-5-one
SMILESO=c1cnncn2cccc12
InChIInChI=1S/C7H5N3O/c11-7-4-8-9-5-10-3-1-2-6(7)10/h1-5H
InChIKeyKTJOQWXNIRWYNO-UHFFFAOYSA-N
XLogP0.09
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
CID 58518078
pyrrolo[2,1-f]purin-2-one
CID 141333234
imidazo[1,5-a]pyridine-8-carbaldehyde
CID 10464459
[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 82417710
2-(3-phenylmethoxypropyl)pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 72900070
1-(4-imidazo[1,5-a]pyridin-1-ylphenyl)imidazo[1,5-a]pyridine
CID 4702100
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
CID 83877948
1-bromoimidazo[1,5-a]pyridine;ethane
CID 144796494
3-iodopyrrolo[2,1-f][1,2,4]triazin-4-one
CID 146517083
[1,2,4]triazolo[4,3-a]pyridin-8-amine;dihydrochloride
CID 155978316
8-iodoindolizine
CID 134691902

Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-d][1,2,4]triazepin-5-one?
The IUPAC name of pyrrolo[1,2-d][1,2,4]triazepin-5-one (CID 141113797) is pyrrolo[1,2-d][1,2,4]triazepin-5-one.
What is the SMILES notation for pyrrolo[1,2-d][1,2,4]triazepin-5-one?
The canonical SMILES for pyrrolo[1,2-d][1,2,4]triazepin-5-one is O=c1cnncn2cccc12.
What is the InChIKey of pyrrolo[1,2-d][1,2,4]triazepin-5-one?
The InChIKey is KTJOQWXNIRWYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-4-8-9-5-10-3-1-2-6(7)10/h1-5H.
What are the key properties of pyrrolo[1,2-d][1,2,4]triazepin-5-one?
pyrrolo[1,2-d][1,2,4]triazepin-5-one has a molecular weight of 147.14 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-d][1,2,4]triazepin-5-one is sourced from PubChem (CID 141113797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).