1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone

C10H13N3O — CID 82403408

IUPAC1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone
SMILESCC(=O)N1CCCNc2cccnc21
InChIInChI=1S/C10H13N3O/c1-8(14)13-7-3-6-11-9-4-2-5-12-10(9)13/h2,4-5,11H,3,6-7H2,1H3
InChIKeyAYHNFRWWNVDMPE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.25
Rot. Bonds

About 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone

1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone (PubChem CID 82403408) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone
PubChem CID82403408
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone
SMILESCC(=O)N1CCCNc2cccnc21
InChIInChI=1S/C10H13N3O/c1-8(14)13-7-3-6-11-9-4-2-5-12-10(9)13/h2,4-5,11H,3,6-7H2,1H3
InChIKeyAYHNFRWWNVDMPE-UHFFFAOYSA-N
XLogP1.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone?
The IUPAC name of 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone (CID 82403408) is 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone?
The canonical SMILES for 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone is CC(=O)N1CCCNc2cccnc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone?
The InChIKey is AYHNFRWWNVDMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(14)13-7-3-6-11-9-4-2-5-12-10(9)13/h2,4-5,11H,3,6-7H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone?
1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone is sourced from PubChem (CID 82403408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).