4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

C8H7N3 — CID 143498503

IUPAC4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESCC1=C=Cn2ncnc2C=C1
InChIInChI=1S/C8H7N3/c1-7-2-3-8-9-6-10-11(8)5-4-7/h2-3,5-6H,1H3
InChIKeyCHANYYPPDVHBFK-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.32
Rot. Bonds

About 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (PubChem CID 143498503) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.

Molecular Properties

Compound Name4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
PubChem CID143498503
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESCC1=C=Cn2ncnc2C=C1
InChIInChI=1S/C8H7N3/c1-7-2-3-8-9-6-10-11(8)5-4-7/h2-3,5-6H,1H3
InChIKeyCHANYYPPDVHBFK-UHFFFAOYSA-N
XLogP1.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130428247
9H-[1,2,4]triazolo[1,5-a]azepine
CID 57200916
13-Methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene
CID 57209093
iridium;3-(1-methyl-1,2,4-triazol-3-yl)-2H-pyridin-2-ide
CID 57746218
CID 59806670
CID 59806670
CID 59806673
CID 59806673
5H-[1,2,4]triazolo[1,5-c][3]benzazepine
CID 88439719
5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
CID 88558971
5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine
CID 123744564
1-methyl-5-[(3E,5Z)-2-methylocta-1,3,5-trien-3-yl]-1,2,4-triazole
CID 129215715
7,7-Dimethyl-[1,2,4]triazolo[4,3-a]azepine
CID 134515466

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The IUPAC name of 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (CID 143498503) is 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.
What is the SMILES notation for 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The canonical SMILES for 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is CC1=C=Cn2ncnc2C=C1.
What is the InChIKey of 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The InChIKey is CHANYYPPDVHBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-7-2-3-8-9-6-10-11(8)5-4-7/h2-3,5-6H,1H3.
What are the key properties of 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene has a molecular weight of 145.16 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is sourced from PubChem (CID 143498503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).