8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C8H9N3O — CID 69059838

IUPAC8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESNC(=O)c1n[nH]c2c1CC1CC21
InChIInChI=1S/C8H9N3O/c9-8(12)7-5-2-3-1-4(3)6(5)10-11-7/h3-4H,1-2H2,(H2,9,12)(H,10,11)
InChIKeyVKMMTMDTANDJHB-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.17
Rot. Bonds1

About 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 69059838) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID69059838
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESNC(=O)c1n[nH]c2c1CC1CC21
InChIInChI=1S/C8H9N3O/c9-8(12)7-5-2-3-1-4(3)6(5)10-11-7/h3-4H,1-2H2,(H2,9,12)(H,10,11)
InChIKeyVKMMTMDTANDJHB-UHFFFAOYSA-N
XLogP0.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide;ethyl (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylate
CID 158488978
sodium (2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylate
CID 166572816
N-tert-butyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123275273
N-(1,3-dihydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123716391
4-[[(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166289988
(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carbaldehyde
CID 89145803
N-[1-(4-fluorophenyl)cyclopropyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123741168
N-[1-(4-fluorophenyl)propan-2-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123349052
(8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide
CID 163982547
3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 69246739
(2R,3S,4S)-3-pentyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 143252513
(2S,4R,5R)-5-(methoxymethoxy)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide
CID 118967348

Frequently Asked Questions

What is the IUPAC name of 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 69059838) is 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is NC(=O)c1n[nH]c2c1CC1CC21.
What is the InChIKey of 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is VKMMTMDTANDJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-8(12)7-5-2-3-1-4(3)6(5)10-11-7/h3-4H,1-2H2,(H2,9,12)(H,10,11).
What are the key properties of 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 163.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 69059838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).