N-(2H-1,4-diazepin-6-yl)acetamide

C7H9N3O — CID 90891491

IUPACN-(2H-1,4-diazepin-6-yl)acetamide
SMILESCC(=O)NC1=CN=CCN=C1
InChIInChI=1S/C7H9N3O/c1-6(11)10-7-4-8-2-3-9-5-7/h2,4-5H,3H2,1H3,(H,10,11)
InChIKeyXSEADNOJTQJKIM-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.12
Rot. Bonds1

About N-(2H-1,4-diazepin-6-yl)acetamide

N-(2H-1,4-diazepin-6-yl)acetamide (PubChem CID 90891491) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-(2H-1,4-diazepin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2H-1,4-diazepin-6-yl)acetamide
PubChem CID90891491
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-(2H-1,4-diazepin-6-yl)acetamide
SMILESCC(=O)NC1=CN=CCN=C1
InChIInChI=1S/C7H9N3O/c1-6(11)10-7-4-8-2-3-9-5-7/h2,4-5H,3H2,1H3,(H,10,11)
InChIKeyXSEADNOJTQJKIM-UHFFFAOYSA-N
XLogP0.12
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2H-1,4-diazepin-6-yl)acetamide?
The IUPAC name of N-(2H-1,4-diazepin-6-yl)acetamide (CID 90891491) is N-(2H-1,4-diazepin-6-yl)acetamide.
What is the SMILES notation for N-(2H-1,4-diazepin-6-yl)acetamide?
The canonical SMILES for N-(2H-1,4-diazepin-6-yl)acetamide is CC(=O)NC1=CN=CCN=C1.
What is the InChIKey of N-(2H-1,4-diazepin-6-yl)acetamide?
The InChIKey is XSEADNOJTQJKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6(11)10-7-4-8-2-3-9-5-7/h2,4-5H,3H2,1H3,(H,10,11).
What are the key properties of N-(2H-1,4-diazepin-6-yl)acetamide?
N-(2H-1,4-diazepin-6-yl)acetamide has a molecular weight of 151.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-1,4-diazepin-6-yl)acetamide is sourced from PubChem (CID 90891491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).