6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene

C13H15N3 — CID 10176727

IUPAC6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
SMILESCc1nc2cc3c(cc2[nH]1)C1CNCC3C1
InChIInChI=1S/C13H15N3/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyNNQXNMIUYWOMIR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.05
Rot. Bonds

About 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene

6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene (PubChem CID 10176727) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene.

Molecular Properties

Compound Name6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
PubChem CID10176727
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
SMILESCc1nc2cc3c(cc2[nH]1)C1CNCC3C1
InChIInChI=1S/C13H15N3/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyNNQXNMIUYWOMIR-UHFFFAOYSA-N
XLogP2.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The IUPAC name of 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene (CID 10176727) is 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene.
What is the SMILES notation for 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The canonical SMILES for 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene is Cc1nc2cc3c(cc2[nH]1)C1CNCC3C1.
What is the InChIKey of 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The InChIKey is NNQXNMIUYWOMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-7-15-12-3-10-8-2-9(6-14-5-8)11(10)4-13(12)16-7/h3-4,8-9,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene has a molecular weight of 213.28 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene is sourced from PubChem (CID 10176727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).