7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

C12H17N3O — CID 81136963

IUPAC7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCCCC1CNc2nc(C)ccc2NC1=O
InChIInChI=1S/C12H17N3O/c1-3-4-9-7-13-11-10(15-12(9)16)6-5-8(2)14-11/h5-6,9H,3-4,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYXFMWPJEGUYYBS-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.17
Rot. Bonds2

About 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 81136963) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID81136963
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCCCC1CNc2nc(C)ccc2NC1=O
InChIInChI=1S/C12H17N3O/c1-3-4-9-7-13-11-10(15-12(9)16)6-5-8(2)14-11/h5-6,9H,3-4,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYXFMWPJEGUYYBS-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (CID 81136963) is 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is CCCC1CNc2nc(C)ccc2NC1=O.
What is the InChIKey of 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is YXFMWPJEGUYYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-4-9-7-13-11-10(15-12(9)16)6-5-8(2)14-11/h5-6,9H,3-4,7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 219.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 81136963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).