2,7-dihydro-1,4-diazepine-1-carboxamide

C6H9N3O — CID 143435453

IUPAC2,7-dihydro-1,4-diazepine-1-carboxamide
SMILESNC(=O)N1CC=CN=CC1
InChIInChI=1S/C6H9N3O/c7-6(10)9-4-1-2-8-3-5-9/h1-3H,4-5H2,(H2,7,10)
InChIKeyCPRMQNGMOYLWJM-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.03
Rot. Bonds

About 2,7-dihydro-1,4-diazepine-1-carboxamide

2,7-dihydro-1,4-diazepine-1-carboxamide (PubChem CID 143435453) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2,7-dihydro-1,4-diazepine-1-carboxamide.

Molecular Properties

Compound Name2,7-dihydro-1,4-diazepine-1-carboxamide
PubChem CID143435453
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2,7-dihydro-1,4-diazepine-1-carboxamide
SMILESNC(=O)N1CC=CN=CC1
InChIInChI=1S/C6H9N3O/c7-6(10)9-4-1-2-8-3-5-9/h1-3H,4-5H2,(H2,7,10)
InChIKeyCPRMQNGMOYLWJM-UHFFFAOYSA-N
XLogP-0.03
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydro-1,4-diazepine-1-carboxamide?
The IUPAC name of 2,7-dihydro-1,4-diazepine-1-carboxamide (CID 143435453) is 2,7-dihydro-1,4-diazepine-1-carboxamide.
What is the SMILES notation for 2,7-dihydro-1,4-diazepine-1-carboxamide?
The canonical SMILES for 2,7-dihydro-1,4-diazepine-1-carboxamide is NC(=O)N1CC=CN=CC1.
What is the InChIKey of 2,7-dihydro-1,4-diazepine-1-carboxamide?
The InChIKey is CPRMQNGMOYLWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6(10)9-4-1-2-8-3-5-9/h1-3H,4-5H2,(H2,7,10).
What are the key properties of 2,7-dihydro-1,4-diazepine-1-carboxamide?
2,7-dihydro-1,4-diazepine-1-carboxamide has a molecular weight of 139.16 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydro-1,4-diazepine-1-carboxamide is sourced from PubChem (CID 143435453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).