pyrrolo[3,2-d][1,3]diazepine

C7H5N3 — CID 70359339

IUPACpyrrolo[3,2-d][1,3]diazepine
SMILESc1cc2nccc-2ncn1
InChIInChI=1S/C7H5N3/c1-3-8-5-10-7-2-4-9-6(1)7/h1-5H
InChIKeySNYYDMFDIZYUKD-UHFFFAOYSA-N
MW131.14 g/mol
LogP0.98
Rot. Bonds

About pyrrolo[3,2-d][1,3]diazepine

pyrrolo[3,2-d][1,3]diazepine (PubChem CID 70359339) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is pyrrolo[3,2-d][1,3]diazepine.

Molecular Properties

Compound Namepyrrolo[3,2-d][1,3]diazepine
PubChem CID70359339
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Namepyrrolo[3,2-d][1,3]diazepine
SMILESc1cc2nccc-2ncn1
InChIInChI=1S/C7H5N3/c1-3-8-5-10-7-2-4-9-6(1)7/h1-5H
InChIKeySNYYDMFDIZYUKD-UHFFFAOYSA-N
XLogP0.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,2-d][1,3]diazepine?
The IUPAC name of pyrrolo[3,2-d][1,3]diazepine (CID 70359339) is pyrrolo[3,2-d][1,3]diazepine.
What is the SMILES notation for pyrrolo[3,2-d][1,3]diazepine?
The canonical SMILES for pyrrolo[3,2-d][1,3]diazepine is c1cc2nccc-2ncn1.
What is the InChIKey of pyrrolo[3,2-d][1,3]diazepine?
The InChIKey is SNYYDMFDIZYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-3-8-5-10-7-2-4-9-6(1)7/h1-5H.
What are the key properties of pyrrolo[3,2-d][1,3]diazepine?
pyrrolo[3,2-d][1,3]diazepine has a molecular weight of 131.14 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,2-d][1,3]diazepine is sourced from PubChem (CID 70359339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).