N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide

C14H24N4O2 — CID 97381711

IUPACN,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
SMILESCC(C)OCc1ncn2c1CN(C(=O)N(C)C)CCC2
InChIInChI=1S/C14H24N4O2/c1-11(2)20-9-12-13-8-17(14(19)16(3)4)6-5-7-18(13)10-15-12/h10-11H,5-9H2,1-4H3
InChIKeyKZURDFHLQCFUPG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.70
Rot. Bonds3

About N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide

N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide (PubChem CID 97381711) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
PubChem CID97381711
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
SMILESCC(C)OCc1ncn2c1CN(C(=O)N(C)C)CCC2
InChIInChI=1S/C14H24N4O2/c1-11(2)20-9-12-13-8-17(14(19)16(3)4)6-5-7-18(13)10-15-12/h10-11H,5-9H2,1-4H3
InChIKeyKZURDFHLQCFUPG-UHFFFAOYSA-N
XLogP1.70
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The IUPAC name of N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide (CID 97381711) is N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide is CC(C)OCc1ncn2c1CN(C(=O)N(C)C)CCC2.
What is the InChIKey of N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
The InChIKey is KZURDFHLQCFUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)20-9-12-13-8-17(14(19)16(3)4)6-5-7-18(13)10-15-12/h10-11H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide?
N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 97381711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).