10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene

C14H13N3 — CID 122537360

IUPAC10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
SMILESCN1c2ccccc2N2c3cnccc3CC12
InChIInChI=1S/C14H13N3/c1-16-11-4-2-3-5-12(11)17-13-9-15-7-6-10(13)8-14(16)17/h2-7,9,14H,8H2,1H3
InChIKeyWQNKOCFDOAGGBQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.55
Rot. Bonds

About 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene

10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene (PubChem CID 122537360) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene.

Molecular Properties

Compound Name10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
PubChem CID122537360
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
SMILESCN1c2ccccc2N2c3cnccc3CC12
InChIInChI=1S/C14H13N3/c1-16-11-4-2-3-5-12(11)17-13-9-15-7-6-10(13)8-14(16)17/h2-7,9,14H,8H2,1H3
InChIKeyWQNKOCFDOAGGBQ-UHFFFAOYSA-N
XLogP2.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene with MolForge

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Related Compounds

(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
CID 118314581
N-methyl-1-[4-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanamine
CID 81248470
8-methyl-4-phenyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
CID 134501809
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrazin-2-amine
CID 133277250
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
16-methyl-4,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
CID 15568320
1-methyl-3,4-dihydro-2H-1,6-naphthyridine
CID 45079501
5-methyl-10-[3-[4-(10-methylphenazin-5-yl)-3-pyridinyl]-4-pyridinyl]phenazine
CID 122433704
2-iodo-1-methyl-2,3-dihydroindole
CID 143057864
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
2-[2,6-di(propan-2-yl)phenyl]-5-methyl-5a,6-dihydropurino[9,8-a]indole;5-methyl-2-(2-methylphenyl)-5a,6-dihydropurino[9,8-a]indole;11-pyridin-3-yl-10,10a-dihydropurino[7,8-a]indole;11-pyridin-4-yl-10,10a-dihydropurino[7,8-a]indole;11-thiophen-2-yl-10,10a-dihydropurino[7,8-a]indole
CID 158102445
1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazo[4,5-b]pyridin-2-ide;13-fluoro-8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),12,14-hexaene;iridium;8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene;8-methyl-1,6,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
CID 160736534

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The IUPAC name of 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene (CID 122537360) is 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene.
What is the SMILES notation for 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The canonical SMILES for 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene is CN1c2ccccc2N2c3cnccc3CC12.
What is the InChIKey of 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
The InChIKey is WQNKOCFDOAGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-16-11-4-2-3-5-12(11)17-13-9-15-7-6-10(13)8-14(16)17/h2-7,9,14H,8H2,1H3.
What are the key properties of 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene?
10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene has a molecular weight of 223.28 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-1,4,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene is sourced from PubChem (CID 122537360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).