1,5-diazocine-2-carboxamide

C7H7N3O — CID 160924981

IUPAC1,5-diazocine-2-carboxamide
SMILESNC(=O)/C1=N/C=C/C=N\C=C1
InChIInChI=1S/C7H7N3O/c8-7(11)6-2-5-9-3-1-4-10-6/h1-5H,(H2,8,11)/b3-1?,4-1?,5-2?,6-2?,9-3-,9-5?,10-4?,10-6+
InChIKeySSNFKBXDHNLPSV-VAJASMSLSA-N
MW149.15 g/mol
LogP0.02
Rot. Bonds1

About 1,5-diazocine-2-carboxamide

1,5-diazocine-2-carboxamide (PubChem CID 160924981) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 1,5-diazocine-2-carboxamide.

Molecular Properties

Compound Name1,5-diazocine-2-carboxamide
PubChem CID160924981
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name1,5-diazocine-2-carboxamide
SMILESNC(=O)/C1=N/C=C/C=N\C=C1
InChIInChI=1S/C7H7N3O/c8-7(11)6-2-5-9-3-1-4-10-6/h1-5H,(H2,8,11)/b3-1?,4-1?,5-2?,6-2?,9-3-,9-5?,10-4?,10-6+
InChIKeySSNFKBXDHNLPSV-VAJASMSLSA-N
XLogP0.02
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-diazocine-2-carboxamide?
The IUPAC name of 1,5-diazocine-2-carboxamide (CID 160924981) is 1,5-diazocine-2-carboxamide.
What is the SMILES notation for 1,5-diazocine-2-carboxamide?
The canonical SMILES for 1,5-diazocine-2-carboxamide is NC(=O)/C1=N/C=C/C=N\C=C1.
What is the InChIKey of 1,5-diazocine-2-carboxamide?
The InChIKey is SSNFKBXDHNLPSV-VAJASMSLSA-N. The full InChI is InChI=1S/C7H7N3O/c8-7(11)6-2-5-9-3-1-4-10-6/h1-5H,(H2,8,11)/b3-1?,4-1?,5-2?,6-2?,9-3-,9-5?,10-4?,10-6+.
What are the key properties of 1,5-diazocine-2-carboxamide?
1,5-diazocine-2-carboxamide has a molecular weight of 149.15 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazocine-2-carboxamide is sourced from PubChem (CID 160924981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).