8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene

C14H15N3 — CID 130432363

IUPAC8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene
SMILESCN1c2cccnc2N2C3=C(CCC=C3)CC12
InChIInChI=1S/C14H15N3/c1-16-12-7-4-8-15-14(12)17-11-6-3-2-5-10(11)9-13(16)17/h3-4,6-8,13H,2,5,9H2,1H3
InChIKeyFXUVTSVAMDMDID-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.67
Rot. Bonds

About 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene

8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene (PubChem CID 130432363) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene.

Molecular Properties

Compound Name8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene
PubChem CID130432363
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene
SMILESCN1c2cccnc2N2C3=C(CCC=C3)CC12
InChIInChI=1S/C14H15N3/c1-16-12-7-4-8-15-14(12)17-11-6-3-2-5-10(11)9-13(16)17/h3-4,6-8,13H,2,5,9H2,1H3
InChIKeyFXUVTSVAMDMDID-UHFFFAOYSA-N
XLogP2.67
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)
CID 589729
2-N-phenylpyridine-2,3-diamine
CID 10679091
Imidazo(1,5-a)pyridine
CID 274090
1,3-Dihydroimidazo(4,5-b)pyridin-2-one
CID 519250
3-(2-Methyl-1H-imidazol-1-yl)pyridine
CID 16654686
1-(2-pyridinyl)-1H-benzimidazole
CID 852492
3-(1H-Imidazol-1-yl)pyridine
CID 4730695
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
5-Nitro-2-(1-pyrrolidinyl)pyridine
CID 316823
N~1~,N~1~-Dimethyl-N~2~-octyl-N~2~-(pyridin-2-yl)ethane-1,2-diamine
CID 212055
3-phenyl-3H-imidazo(4,5-b)pyridine
CID 5328491
2-Methylimidazo[1,2-a]pyridin-3-amine
CID 15533833

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene?
The IUPAC name of 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene (CID 130432363) is 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene.
What is the SMILES notation for 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene?
The canonical SMILES for 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene is CN1c2cccnc2N2C3=C(CCC=C3)CC12.
What is the InChIKey of 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene?
The InChIKey is FXUVTSVAMDMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-16-12-7-4-8-15-14(12)17-11-6-3-2-5-10(11)9-13(16)17/h3-4,6-8,13H,2,5,9H2,1H3.
What are the key properties of 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene?
8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene has a molecular weight of 225.30 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),14-pentaene is sourced from PubChem (CID 130432363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).