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

C16H13N5O — CID 123242900

IUPAC5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol
SMILESCn1c2ccncc2c2ccc(Nc3cncc(O)c3)nc21
InChIInChI=1S/C16H13N5O/c1-21-14-4-5-17-9-13(14)12-2-3-15(20-16(12)21)19-10-6-11(22)8-18-7-10/h2-9,22H,1H3,(H,19,20)
InChIKeyNAKCZWOOPFBFLL-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.97
Rot. Bonds2

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

5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol (PubChem CID 123242900) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol.

Molecular Properties

Compound Name5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol
PubChem CID123242900
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol
SMILESCn1c2ccncc2c2ccc(Nc3cncc(O)c3)nc21
InChIInChI=1S/C16H13N5O/c1-21-14-4-5-17-9-13(14)12-2-3-15(20-16(12)21)19-10-6-11(22)8-18-7-10/h2-9,22H,1H3,(H,19,20)
InChIKeyNAKCZWOOPFBFLL-UHFFFAOYSA-N
XLogP2.97
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol?
The IUPAC name of 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol (CID 123242900) is 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol.
What is the SMILES notation for 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol?
The canonical SMILES for 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol is Cn1c2ccncc2c2ccc(Nc3cncc(O)c3)nc21.
What is the InChIKey of 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol?
The InChIKey is NAKCZWOOPFBFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-21-14-4-5-17-9-13(14)12-2-3-15(20-16(12)21)19-10-6-11(22)8-18-7-10/h2-9,22H,1H3,(H,19,20).
What are the key properties of 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol?
5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol has a molecular weight of 291.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)amino]pyridin-3-ol is sourced from PubChem (CID 123242900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).