1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine

C9H14N2 — CID 19826589

IUPAC1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine
SMILESC1=CN2CCCC=C2CNC1
InChIInChI=1S/C9H14N2/c1-2-6-11-7-3-5-10-8-9(11)4-1/h3-4,7,10H,1-2,5-6,8H2
InChIKeyHRZMGTGWANDFRJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.08
Rot. Bonds

About 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine

1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine (PubChem CID 19826589) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine
PubChem CID19826589
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine
SMILESC1=CN2CCCC=C2CNC1
InChIInChI=1S/C9H14N2/c1-2-6-11-7-3-5-10-8-9(11)4-1/h3-4,7,10H,1-2,5-6,8H2
InChIKeyHRZMGTGWANDFRJ-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,9-Diazabicyclo[5.4.0]undecen-7-ene
CID 22177674
1,2,3,6-Tetrahydropyridin-5-amine
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CID 67922928

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine?
The IUPAC name of 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine (CID 19826589) is 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine.
What is the SMILES notation for 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine?
The canonical SMILES for 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine is C1=CN2CCCC=C2CNC1.
What is the InChIKey of 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine?
The InChIKey is HRZMGTGWANDFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-6-11-7-3-5-10-8-9(11)4-1/h3-4,7,10H,1-2,5-6,8H2.
What are the key properties of 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine?
1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine has a molecular weight of 150.22 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7,8,9-hexahydropyrido[1,2-a][1,4]diazepine is sourced from PubChem (CID 19826589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).