2,3-Dihydro-1H-1,4-diazepine

C5H8N2 — CID 12462155

IUPAC2,3-dihydro-1H-1,4-diazepine
SMILESC1CN=CC=CN1
InChIInChI=1S/C5H8N2/c1-2-6-4-5-7-3-1/h1-3,6H,4-5H2
InChIKeySNZDVARAEBPODD-UHFFFAOYSA-N
MW96.13 g/mol
LogP-0.40
Rot. Bonds

About 2,3-Dihydro-1H-1,4-diazepine

2,3-Dihydro-1H-1,4-diazepine (PubChem CID 12462155) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2,3-dihydro-1H-1,4-diazepine.

Molecular Properties

Compound Name2,3-Dihydro-1H-1,4-diazepine
PubChem CID12462155
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2,3-dihydro-1H-1,4-diazepine
SMILESC1CN=CC=CN1
InChIInChI=1S/C5H8N2/c1-2-6-4-5-7-3-1/h1-3,6H,4-5H2
InChIKeySNZDVARAEBPODD-UHFFFAOYSA-N
XLogP-0.40
TPSA24.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity94

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-1,4-Diazepine
CID 12312963
Hydro-1,4-diazepine hydrochloride
CID 22390470
1,5-Diazepinium chloride
CID 129794428
2-fluoro-1H-1,4-diazepine
CID 162076745
(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
[1,4,7]Triazacycloundecin
CID 129814489
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
2-methyl-2,3-dihydro-1H-1,4-diazepine
CID 12462157
1H-1,4-diazepine;dihydrochloride
CID 21527750
1H-1,4-diazepine;tetrahydrochloride
CID 22933101
2,5-dihydro-1H-1,4-diazepine
CID 58550589

Frequently Asked Questions

What is the IUPAC name of 2,3-Dihydro-1H-1,4-diazepine?
The IUPAC name of 2,3-Dihydro-1H-1,4-diazepine (CID 12462155) is 2,3-dihydro-1H-1,4-diazepine.
What is the SMILES notation for 2,3-Dihydro-1H-1,4-diazepine?
The canonical SMILES for 2,3-Dihydro-1H-1,4-diazepine is C1CN=CC=CN1.
What is the InChIKey of 2,3-Dihydro-1H-1,4-diazepine?
The InChIKey is SNZDVARAEBPODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-6-4-5-7-3-1/h1-3,6H,4-5H2.
What are the key properties of 2,3-Dihydro-1H-1,4-diazepine?
2,3-Dihydro-1H-1,4-diazepine has a molecular weight of 96.13 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-Dihydro-1H-1,4-diazepine is sourced from PubChem (CID 12462155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).