1H-1,3-diazepine;hydrobromide

C5H7BrN2 — CID 20542620

IUPAC1H-1,3-diazepine;hydrobromide
SMILESBr.C1=CN=CNC=C1
InChIInChI=1S/C5H6N2.BrH/c1-2-4-7-5-6-3-1;/h1-5H,(H,6,7);1H
InChIKeyVCZIXLPPHUEWLA-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.22
Rot. Bonds

About 1H-1,3-diazepine;hydrobromide

1H-1,3-diazepine;hydrobromide (PubChem CID 20542620) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 1H-1,3-diazepine;hydrobromide.

Molecular Properties

Compound Name1H-1,3-diazepine;hydrobromide
PubChem CID20542620
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name1H-1,3-diazepine;hydrobromide
SMILESBr.C1=CN=CNC=C1
InChIInChI=1S/C5H6N2.BrH/c1-2-4-7-5-6-3-1;/h1-5H,(H,6,7);1H
InChIKeyVCZIXLPPHUEWLA-UHFFFAOYSA-N
XLogP1.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-1H-1,3-diazepine
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7-chloro-1H-1,3-diazepine
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1H-1,3-diazepine;hydrochloride
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1,4-Dihydropyrimidin-4-amine
CID 55281263
CID 57456851
CID 57456851
1H-1,3-diazepin-2-amine
CID 57473077
1H-1,3-diazepin-7-amine
CID 67193485
1,2-Dihydroimidazol-2-ide;1,2-dihydropyrrol-2-ide;ruthenium(2+)
CID 87611629
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Frequently Asked Questions

What is the IUPAC name of 1H-1,3-diazepine;hydrobromide?
The IUPAC name of 1H-1,3-diazepine;hydrobromide (CID 20542620) is 1H-1,3-diazepine;hydrobromide.
What is the SMILES notation for 1H-1,3-diazepine;hydrobromide?
The canonical SMILES for 1H-1,3-diazepine;hydrobromide is Br.C1=CN=CNC=C1.
What is the InChIKey of 1H-1,3-diazepine;hydrobromide?
The InChIKey is VCZIXLPPHUEWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.BrH/c1-2-4-7-5-6-3-1;/h1-5H,(H,6,7);1H.
What are the key properties of 1H-1,3-diazepine;hydrobromide?
1H-1,3-diazepine;hydrobromide has a molecular weight of 175.03 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,3-diazepine;hydrobromide is sourced from PubChem (CID 20542620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).