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

C9H11N3O — CID 79306298

IUPAC8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCc1cnc2c(c1)NC(=O)CCN2
InChIInChI=1S/C9H11N3O/c1-6-4-7-9(11-5-6)10-3-2-8(13)12-7/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyCDZVEBAJNAHXTQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.14
Rot. Bonds

About 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 79306298) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID79306298
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCc1cnc2c(c1)NC(=O)CCN2
InChIInChI=1S/C9H11N3O/c1-6-4-7-9(11-5-6)10-3-2-8(13)12-7/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyCDZVEBAJNAHXTQ-UHFFFAOYSA-N
XLogP1.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (CID 79306298) is 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is Cc1cnc2c(c1)NC(=O)CCN2.
What is the InChIKey of 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is CDZVEBAJNAHXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-4-7-9(11-5-6)10-3-2-8(13)12-7/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 177.21 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 79306298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).