N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

C17H19N5O2 — CID 50800843

IUPACN-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCOc1ccc(OC)c(Nc2c3c(nc4nc(C)nn24)CCC3)c1
InChIInChI=1S/C17H19N5O2/c1-10-18-17-20-13-6-4-5-12(13)16(22(17)21-10)19-14-9-11(23-2)7-8-15(14)24-3/h7-9,19H,4-6H2,1-3H3
InChIKeyKBVUBCXDPOWJBY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.68
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 50800843) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID50800843
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCOc1ccc(OC)c(Nc2c3c(nc4nc(C)nn24)CCC3)c1
InChIInChI=1S/C17H19N5O2/c1-10-18-17-20-13-6-4-5-12(13)16(22(17)21-10)19-14-9-11(23-2)7-8-15(14)24-3/h7-9,19H,4-6H2,1-3H3
InChIKeyKBVUBCXDPOWJBY-UHFFFAOYSA-N
XLogP2.68
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800623
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 59722522
10-(4-methoxy-2-methylphenyl)-11-methyl-N-(2-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10157720
N-(3,5-dimethoxyphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 44753836
N-(2,5-dimethoxyphenyl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 50800345
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2,2,2-trifluoroacetic acid
CID 46245558
N-(5-chloro-2-methylphenyl)-11-(furan-2-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800850
ethyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]benzoate
CID 50800774
5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029467
N-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800736
N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 22579266

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 50800843) is N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is COc1ccc(OC)c(Nc2c3c(nc4nc(C)nn24)CCC3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is KBVUBCXDPOWJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-18-17-20-13-6-4-5-12(13)16(22(17)21-10)19-14-9-11(23-2)7-8-15(14)24-3/h7-9,19H,4-6H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 325.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 50800843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).