1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione

C13H20N4O2 — CID 14739436

IUPAC1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCCCN1CC(=O)N(CCC)c2ncn(C)c2C1=O
InChIInChI=1S/C13H20N4O2/c1-4-6-16-8-10(18)17(7-5-2)12-11(13(16)19)15(3)9-14-12/h9H,4-8H2,1-3H3
InChIKeyFPQGMGQAKCZDDS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.03
Rot. Bonds4

About 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione

1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 14739436) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID14739436
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCCCN1CC(=O)N(CCC)c2ncn(C)c2C1=O
InChIInChI=1S/C13H20N4O2/c1-4-6-16-8-10(18)17(7-5-2)12-11(13(16)19)15(3)9-14-12/h9H,4-8H2,1-3H3
InChIKeyFPQGMGQAKCZDDS-UHFFFAOYSA-N
XLogP1.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione (CID 14739436) is 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is CCCN1CC(=O)N(CCC)c2ncn(C)c2C1=O.
What is the InChIKey of 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is FPQGMGQAKCZDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-6-16-8-10(18)17(7-5-2)12-11(13(16)19)15(3)9-14-12/h9H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 264.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,7-dipropyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 14739436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).