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

C14H15N5O — CID 50800736

IUPACN-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCc1nc2nc3c(c(NCc4ccco4)n2n1)CCC3
InChIInChI=1S/C14H15N5O/c1-9-16-14-17-12-6-2-5-11(12)13(19(14)18-9)15-8-10-4-3-7-20-10/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyLVOVNRMYLKQQRH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.13
Rot. Bonds3

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

N-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 50800736) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID50800736
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCc1nc2nc3c(c(NCc4ccco4)n2n1)CCC3
InChIInChI=1S/C14H15N5O/c1-9-16-14-17-12-6-2-5-11(12)13(19(14)18-9)15-8-10-4-3-7-20-10/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyLVOVNRMYLKQQRH-UHFFFAOYSA-N
XLogP2.13
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine with MolForge

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Related Compounds

11-(furan-2-yl)-N-[(4-methylphenyl)methyl]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800649
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
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50801517
N-(3-chlorophenyl)-11-(furan-2-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 50800717
ethyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)amino]benzoate
CID 50800774
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756975
N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
CID 557420
4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871390
1-ethyl-N-(furan-2-ylmethyl)-3-methylpyrazol-4-amine
CID 19626815
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 123794199
2,3-dihydroindol-1-yl-[6-(furan-2-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109367986

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-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-(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) is N-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is Cc1nc2nc3c(c(NCc4ccco4)n2n1)CCC3.
What is the InChIKey of N-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is LVOVNRMYLKQQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-16-14-17-12-6-2-5-11(12)13(19(14)18-9)15-8-10-4-3-7-20-10/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-11-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
N-(furan-2-ylmethyl)-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 269.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-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 50800736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).