6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene

C13H9N3 — CID 23270060

IUPAC6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene
SMILESCn1nc2ccc3ccc4ccc(n1)c2c34
InChIInChI=1S/C13H9N3/c1-16-14-10-6-4-8-2-3-9-5-7-11(15-16)13(10)12(8)9/h2-7H,1H3
InChIKeyUKEZCEHRDOLNMQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.71
Rot. Bonds

About 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene

6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene (PubChem CID 23270060) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene.

Molecular Properties

Compound Name6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene
PubChem CID23270060
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene
SMILESCn1nc2ccc3ccc4ccc(n1)c2c34
InChIInChI=1S/C13H9N3/c1-16-14-10-6-4-8-2-3-9-5-7-11(15-16)13(10)12(8)9/h2-7H,1H3
InChIKeyUKEZCEHRDOLNMQ-UHFFFAOYSA-N
XLogP2.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_D(2)', 'substructure': 'N/A'}

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Related Compounds

Diazobenzofluorene
CID 129703729
4-Diazofluorene
CID 18690529
3-methyl-7H-indazole
CID 134537809
N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 155000429
Ethyl-(1-phenylpropylideneamino)azanide;yttrium
CID 163477381

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene?
The IUPAC name of 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene (CID 23270060) is 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene.
What is the SMILES notation for 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene?
The canonical SMILES for 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene is Cn1nc2ccc3ccc4ccc(n1)c2c34.
What is the InChIKey of 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene?
The InChIKey is UKEZCEHRDOLNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c1-16-14-10-6-4-8-2-3-9-5-7-11(15-16)13(10)12(8)9/h2-7H,1H3.
What are the key properties of 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene?
6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene has a molecular weight of 207.24 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,6,7-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,7,9,11,14-heptaene is sourced from PubChem (CID 23270060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).