11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one

C7H6N6O2 — CID 101431856

IUPAC11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one
SMILESNc1nc2c(c(=O)[nH]1)Nc1[nH]cnc1O2
InChIInChI=1S/C7H6N6O2/c8-7-12-4(14)2-5(13-7)15-6-3(11-2)9-1-10-6/h1,11H,(H,9,10)(H3,8,12,13,14)
InChIKeyQTNHAYICVHEYCH-UHFFFAOYSA-N
MW206.17 g/mol
LogP-0.08
Rot. Bonds

About 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one

11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one (PubChem CID 101431856) has the molecular formula C7H6N6O2 and a molecular weight of 206.17 g/mol. Its IUPAC name is 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one.

Molecular Properties

Compound Name11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one
PubChem CID101431856
Molecular FormulaC7H6N6O2
Molecular Weight206.17 g/mol
Exact Mass206.06
IUPAC Name11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one
SMILESNc1nc2c(c(=O)[nH]1)Nc1[nH]cnc1O2
InChIInChI=1S/C7H6N6O2/c8-7-12-4(14)2-5(13-7)15-6-3(11-2)9-1-10-6/h1,11H,(H,9,10)(H3,8,12,13,14)
InChIKeyQTNHAYICVHEYCH-UHFFFAOYSA-N
XLogP-0.08
TPSA121.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one with MolForge

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Related Compounds

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CID 140978979
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bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
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2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
CID 136626730
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CID 172703090
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CID 135997841
CID 135997841

Frequently Asked Questions

What is the IUPAC name of 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one?
The IUPAC name of 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one (CID 101431856) is 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one.
What is the SMILES notation for 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one?
The canonical SMILES for 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one is Nc1nc2c(c(=O)[nH]1)Nc1[nH]cnc1O2.
What is the InChIKey of 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one?
The InChIKey is QTNHAYICVHEYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O2/c8-7-12-4(14)2-5(13-7)15-6-3(11-2)9-1-10-6/h1,11H,(H,9,10)(H3,8,12,13,14).
What are the key properties of 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one?
11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one has a molecular weight of 206.17 g/mol, XLogP of -0.08, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-8-oxa-2,4,6,10,12-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,10-tetraen-13-one is sourced from PubChem (CID 101431856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).