4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C14H13N5O — CID 162467407

IUPAC4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1nc2c3cc(C)[nH]c3nc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C14H13N5O/c1-7-6-10-12(15-7)17-14(11-5-4-8(2)20-11)19-13(10)16-9(3)18-19/h4-6,15H,1-3H3
InChIKeyWOTBSYSQVMOZOC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.79
Rot. Bonds1

About 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 162467407) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID162467407
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1nc2c3cc(C)[nH]c3nc(-c3ccc(C)o3)n2n1
InChIInChI=1S/C14H13N5O/c1-7-6-10-12(15-7)17-14(11-5-4-8(2)20-11)19-13(10)16-9(3)18-19/h4-6,15H,1-3H3
InChIKeyWOTBSYSQVMOZOC-UHFFFAOYSA-N
XLogP2.79
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

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8-[(5-amino-2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
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N,1-dimethyl-5-(5-methylfuran-2-yl)pyrazol-3-amine
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6-bromo-2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine;1-cyclopropylethanone;N-[2-methyl-8-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 162467407) is 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1nc2c3cc(C)[nH]c3nc(-c3ccc(C)o3)n2n1.
What is the InChIKey of 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is WOTBSYSQVMOZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-7-6-10-12(15-7)17-14(11-5-4-8(2)20-11)19-13(10)16-9(3)18-19/h4-6,15H,1-3H3.
What are the key properties of 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 267.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-7-(5-methylfuran-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 162467407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).