3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide

C10H13N3O — CID 69475264

IUPAC3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide
SMILESCCC1(C(N)=O)C2Cc3cn[nH]c3C21
InChIInChI=1S/C10H13N3O/c1-2-10(9(11)14)6-3-5-4-12-13-8(5)7(6)10/h4,6-7H,2-3H2,1H3,(H2,11,14)(H,12,13)
InChIKeyCATRKSJVXRQJBJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.56
Rot. Bonds2

About 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide

3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide (PubChem CID 69475264) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide
PubChem CID69475264
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide
SMILESCCC1(C(N)=O)C2Cc3cn[nH]c3C21
InChIInChI=1S/C10H13N3O/c1-2-10(9(11)14)6-3-5-4-12-13-8(5)7(6)10/h4,6-7H,2-3H2,1H3,(H2,11,14)(H,12,13)
InChIKeyCATRKSJVXRQJBJ-UHFFFAOYSA-N
XLogP0.56
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide?
The IUPAC name of 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide (CID 69475264) is 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide.
What is the SMILES notation for 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide?
The canonical SMILES for 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide is CCC1(C(N)=O)C2Cc3cn[nH]c3C21.
What is the InChIKey of 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide?
The InChIKey is CATRKSJVXRQJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-10(9(11)14)6-3-5-4-12-13-8(5)7(6)10/h4,6-7H,2-3H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide?
3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3-carboxamide is sourced from PubChem (CID 69475264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).