5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one

C10H10N4O — CID 70009267

IUPAC5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
SMILESNC1=NC=C2C=CC(=O)NC3=C2N1CC3
InChIInChI=1S/C10H10N4O/c11-10-12-5-6-1-2-8(15)13-7-3-4-14(10)9(6)7/h1-2,5H,3-4H2,(H2,11,12)(H,13,15)
InChIKeyXUXDVFHPDYYYME-UHFFFAOYSA-N
MW202.22 g/mol
LogP-0.20
Rot. Bonds

About 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one

5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one (PubChem CID 70009267) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one.

Molecular Properties

Compound Name5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
PubChem CID70009267
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
SMILESNC1=NC=C2C=CC(=O)NC3=C2N1CC3
InChIInChI=1S/C10H10N4O/c11-10-12-5-6-1-2-8(15)13-7-3-4-14(10)9(6)7/h1-2,5H,3-4H2,(H2,11,12)(H,13,15)
InChIKeyXUXDVFHPDYYYME-UHFFFAOYSA-N
XLogP-0.20
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one with MolForge

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Related Compounds

5-(Trifluoromethyl)-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
CID 70008451
5-Methylsulfanyl-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
CID 69701514
4,6,12-Triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
CID 69908684
5-(2-Methylpropyl)-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
CID 70008594
5-Amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one;hydrochloride
CID 70009266
5-Tert-butyl-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one
CID 70009396

Frequently Asked Questions

What is the IUPAC name of 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one?
The IUPAC name of 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one (CID 70009267) is 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one.
What is the SMILES notation for 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one?
The canonical SMILES for 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one is NC1=NC=C2C=CC(=O)NC3=C2N1CC3.
What is the InChIKey of 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one?
The InChIKey is XUXDVFHPDYYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-10-12-5-6-1-2-8(15)13-7-3-4-14(10)9(6)7/h1-2,5H,3-4H2,(H2,11,12)(H,13,15).
What are the key properties of 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one?
5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one has a molecular weight of 202.22 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,6,12-triazatricyclo[6.4.1.04,13]trideca-1(13),5,7,9-tetraen-11-one is sourced from PubChem (CID 70009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).