2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide

C10H11N5O — CID 103281712

IUPAC2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide
SMILESNC(=O)c1cc2ncc3c(n2n1)CCNC3
InChIInChI=1S/C10H11N5O/c11-10(16)7-3-9-13-5-6-4-12-2-1-8(6)15(9)14-7/h3,5,12H,1-2,4H2,(H2,11,16)
InChIKeyWSBDJFXOBUYEHB-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.53
Rot. Bonds1

About 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide

2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide (PubChem CID 103281712) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide.

Molecular Properties

Compound Name2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide
PubChem CID103281712
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide
SMILESNC(=O)c1cc2ncc3c(n2n1)CCNC3
InChIInChI=1S/C10H11N5O/c11-10(16)7-3-9-13-5-6-4-12-2-1-8(6)15(9)14-7/h3,5,12H,1-2,4H2,(H2,11,16)
InChIKeyWSBDJFXOBUYEHB-UHFFFAOYSA-N
XLogP-0.53
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide with MolForge

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Related Compounds

(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(piperidino)methanone
CID 53040897
N-{[2-(Diethylamino)pyridin-3-YL]methyl}-5,7-dimethylpyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 56706974
N-{[2-(Dimethylamino)pyridin-3-YL]methyl}-2,7-dimethylpyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 56738642
N-cyclohexyl-7-isopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040850
7-Tert-butyl-N-cyclohexylpyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53040912
N~5~-cyclopentyl-7-isopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53179902
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidino](1-ethyl-1H-pyrazol-5-yl)methanone
CID 71830050
[3-(6,7-Dihydro-5H-cyclopenta[D]pyrimidin-4-ylamino)piperidino](1-ethyl-1H-pyrazol-3-YL)methanone
CID 71836265
[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidino](1-ethyl-1H-pyrazol-5-yl)methanone
CID 71836266
[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidino](1-methyl-1H-pyrazol-5-yl)methanone
CID 71836267
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidino](1-ethyl-1H-pyrazol-3-yl)methanone
CID 71836278
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidino](1-methyl-1H-pyrazol-5-yl)methanone
CID 71836279

Frequently Asked Questions

What is the IUPAC name of 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide?
The IUPAC name of 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide (CID 103281712) is 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide.
What is the SMILES notation for 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide?
The canonical SMILES for 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide is NC(=O)c1cc2ncc3c(n2n1)CCNC3.
What is the InChIKey of 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide?
The InChIKey is WSBDJFXOBUYEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-10(16)7-3-9-13-5-6-4-12-2-1-8(6)15(9)14-7/h3,5,12H,1-2,4H2,(H2,11,16).
What are the key properties of 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide?
2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-4-carboxamide is sourced from PubChem (CID 103281712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).