9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene

C17H13N5 — CID 10356714

IUPAC9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene
SMILESCc1nnc2n1-c1ccccc1-c1nc3ccccc3n1C2
InChIInChI=1S/C17H13N5/c1-11-19-20-16-10-21-15-9-5-3-7-13(15)18-17(21)12-6-2-4-8-14(12)22(11)16/h2-9H,10H2,1H3
InChIKeyPQVMNTJPGKHDAX-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.95
Rot. Bonds

About 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene

9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene (PubChem CID 10356714) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene
PubChem CID10356714
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene
SMILESCc1nnc2n1-c1ccccc1-c1nc3ccccc3n1C2
InChIInChI=1S/C17H13N5/c1-11-19-20-16-10-21-15-9-5-3-7-13(15)18-17(21)12-6-2-4-8-14(12)22(11)16/h2-9H,10H2,1H3
InChIKeyPQVMNTJPGKHDAX-UHFFFAOYSA-N
XLogP2.95
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene?
The IUPAC name of 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene (CID 10356714) is 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene.
What is the SMILES notation for 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene?
The canonical SMILES for 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene is Cc1nnc2n1-c1ccccc1-c1nc3ccccc3n1C2.
What is the InChIKey of 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene?
The InChIKey is PQVMNTJPGKHDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-11-19-20-16-10-21-15-9-5-3-7-13(15)18-17(21)12-6-2-4-8-14(12)22(11)16/h2-9H,10H2,1H3.
What are the key properties of 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene?
9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene has a molecular weight of 287.33 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene is sourced from PubChem (CID 10356714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).