5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol

C15H11N5O — CID 118262749

IUPAC5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol
SMILESOc1cncc(Nc2ccc3c(n2)[nH]c2ccncc23)c1
InChIInChI=1S/C15H11N5O/c21-10-5-9(6-17-7-10)18-14-2-1-11-12-8-16-4-3-13(12)19-15(11)20-14/h1-8,21H,(H2,18,19,20)
InChIKeyBKTHKWCRMHMDTB-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.96
Rot. Bonds2

About 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol

5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol (PubChem CID 118262749) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol.

Molecular Properties

Compound Name5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol
PubChem CID118262749
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol
SMILESOc1cncc(Nc2ccc3c(n2)[nH]c2ccncc23)c1
InChIInChI=1S/C15H11N5O/c21-10-5-9(6-17-7-10)18-14-2-1-11-12-8-16-4-3-13(12)19-15(11)20-14/h1-8,21H,(H2,18,19,20)
InChIKeyBKTHKWCRMHMDTB-UHFFFAOYSA-N
XLogP2.96
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol?
The IUPAC name of 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol (CID 118262749) is 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol.
What is the SMILES notation for 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol?
The canonical SMILES for 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol is Oc1cncc(Nc2ccc3c(n2)[nH]c2ccncc23)c1.
What is the InChIKey of 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol?
The InChIKey is BKTHKWCRMHMDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-10-5-9(6-17-7-10)18-14-2-1-11-12-8-16-4-3-13(12)19-15(11)20-14/h1-8,21H,(H2,18,19,20).
What are the key properties of 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol?
5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol has a molecular weight of 277.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-ylamino)pyridin-3-ol is sourced from PubChem (CID 118262749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).