N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

C17H15N5O — CID 118262281

IUPACN-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCOc1cc(Nc2ccc3c4cnccc4n(C)c3n2)ccn1
InChIInChI=1S/C17H15N5O/c1-22-14-6-7-18-10-13(14)12-3-4-15(21-17(12)22)20-11-5-8-19-16(9-11)23-2/h3-10H,1-2H3,(H,19,20,21)
InChIKeyBVDUMBZZCXDFDU-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.27
Rot. Bonds3

About N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (PubChem CID 118262281) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
PubChem CID118262281
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCOc1cc(Nc2ccc3c4cnccc4n(C)c3n2)ccn1
InChIInChI=1S/C17H15N5O/c1-22-14-6-7-18-10-13(14)12-3-4-15(21-17(12)22)20-11-5-8-19-16(9-11)23-2/h3-10H,1-2H3,(H,19,20,21)
InChIKeyBVDUMBZZCXDFDU-UHFFFAOYSA-N
XLogP3.27
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The IUPAC name of N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (CID 118262281) is N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.
What is the SMILES notation for N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The canonical SMILES for N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is COc1cc(Nc2ccc3c4cnccc4n(C)c3n2)ccn1.
What is the InChIKey of N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The InChIKey is BVDUMBZZCXDFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-22-14-6-7-18-10-13(14)12-3-4-15(21-17(12)22)20-11-5-8-19-16(9-11)23-2/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine has a molecular weight of 305.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyridinyl)-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is sourced from PubChem (CID 118262281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).