3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide

C9H11N3O — CID 69246739

IUPAC3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
SMILESNC(=O)c1n[nH]c2c1C1CCC2C1
InChIInChI=1S/C9H11N3O/c10-9(13)8-6-4-1-2-5(3-4)7(6)11-12-8/h4-5H,1-3H2,(H2,10,13)(H,11,12)
InChIKeyLRHWZYDDOVLJGW-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.87
Rot. Bonds1

About 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide

3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide (PubChem CID 69246739) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
PubChem CID69246739
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
SMILESNC(=O)c1n[nH]c2c1C1CCC2C1
InChIInChI=1S/C9H11N3O/c10-9(13)8-6-4-1-2-5(3-4)7(6)11-12-8/h4-5H,1-3H2,(H2,10,13)(H,11,12)
InChIKeyLRHWZYDDOVLJGW-UHFFFAOYSA-N
XLogP0.87
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-8-methyl-3,4-diazatricyclo[5.1.1.02,6]nona-2(6),4-diene-5-carboxamide
CID 163982547
(2S,4R,5R)-5-(methoxymethoxy)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide
CID 118967348
8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 69059838
N-piperidin-4-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-amine
CID 114698074
4-amino-5-cyclopropyl-N-(2-methylcyclopropyl)-1H-pyrazole-3-carboxamide
CID 62396873
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 106163987
ethane;ethyl 5-cyclopropyl-4-methyl-1H-pyrazole-3-carboxylate
CID 166528664
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62075958
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
1-(4-cyclopropyl-5-methyl-1H-pyrazol-3-yl)ethanone
CID 82372744
1-bromo-2-methoxyethane;1-(3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl)ethanone;1-[3-(2-methoxyethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-yl]ethanone;1-[4-(2-methoxyethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl]ethanone
CID 161109374
4-amino-5-cyclopropyl-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 62077789

Frequently Asked Questions

What is the IUPAC name of 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The IUPAC name of 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide (CID 69246739) is 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide.
What is the SMILES notation for 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The canonical SMILES for 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide is NC(=O)c1n[nH]c2c1C1CCC2C1.
What is the InChIKey of 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The InChIKey is LRHWZYDDOVLJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-9(13)8-6-4-1-2-5(3-4)7(6)11-12-8/h4-5H,1-3H2,(H2,10,13)(H,11,12).
What are the key properties of 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 69246739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).