12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine

C13H15N5O — CID 110173626

IUPAC12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
SMILESCOc1ccc2nc(N)c3cnc(C(C)C)n3c2n1
InChIInChI=1S/C13H15N5O/c1-7(2)12-15-6-9-11(14)16-8-4-5-10(19-3)17-13(8)18(9)12/h4-7H,1-3H3,(H2,14,16)
InChIKeyOTLXOEBPVIUECP-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.99
Rot. Bonds2

About 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine

12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine (PubChem CID 110173626) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine.

Molecular Properties

Compound Name12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
PubChem CID110173626
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
SMILESCOc1ccc2nc(N)c3cnc(C(C)C)n3c2n1
InChIInChI=1S/C13H15N5O/c1-7(2)12-15-6-9-11(14)16-8-4-5-10(19-3)17-13(8)18(9)12/h4-7H,1-3H3,(H2,14,16)
InChIKeyOTLXOEBPVIUECP-UHFFFAOYSA-N
XLogP1.99
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine with MolForge

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Related Compounds

5-methoxy-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699356
12-methoxy-5-methyl-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7-carbonitrile
CID 143812435
2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
CID 115322528
5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 115322202
2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
CID 115322826
3-(1-ethoxypropan-2-yl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322330
3-[2-(dimethylamino)ethyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322083
3-bromo-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648403
2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 115322941
2-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)-N-methylpropanamide
CID 113286854
5-methoxy-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 115322105
2-(1-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322892

Frequently Asked Questions

What is the IUPAC name of 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine?
The IUPAC name of 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine (CID 110173626) is 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine.
What is the SMILES notation for 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine?
The canonical SMILES for 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine is COc1ccc2nc(N)c3cnc(C(C)C)n3c2n1.
What is the InChIKey of 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine?
The InChIKey is OTLXOEBPVIUECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-7(2)12-15-6-9-11(14)16-8-4-5-10(19-3)17-13(8)18(9)12/h4-7H,1-3H3,(H2,14,16).
What are the key properties of 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine?
12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine has a molecular weight of 257.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-3-propan-2-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine is sourced from PubChem (CID 110173626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).