5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene

C10H11N5 — CID 141026959

IUPAC5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene
SMILESCCn1ncc2c3c(cnc21)=CNNC=3
InChIInChI=1S/C10H11N5/c1-2-15-10-9(6-14-15)8-5-13-12-4-7(8)3-11-10/h3-6,12-13H,2H2,1H3
InChIKeyDSOZDDSFWGTJRM-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.96
Rot. Bonds1

About 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene

5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene (PubChem CID 141026959) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene.

Molecular Properties

Compound Name5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene
PubChem CID141026959
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene
SMILESCCn1ncc2c3c(cnc21)=CNNC=3
InChIInChI=1S/C10H11N5/c1-2-15-10-9(6-14-15)8-5-13-12-4-7(8)3-11-10/h3-6,12-13H,2H2,1H3
InChIKeyDSOZDDSFWGTJRM-UHFFFAOYSA-N
XLogP-0.96
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-Fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine
CID 123517826
4-(3-Aminopropyl)-1-methyl-1H-pyrazol-5-amine
CID 11586329
(1,4-Dipropylpyrazol-5-yl)hydrazine
CID 69433978
10-Propyl-3,5,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-amine
CID 143757773
(1,4-Diethylpyrazol-5-yl)hydrazine
CID 69434990
4-(1-Hydrazinylpentyl)-1-methylpyrazol-5-amine
CID 105230677
4-(1-Hydrazinyl-3-methylbutyl)-1-methylpyrazol-5-amine
CID 105230678
4-(2-Ethyl-1-hydrazinylbutyl)-1-methylpyrazol-5-amine
CID 105230681
4-[Cyclopropyl(hydrazinyl)methyl]-1-methylpyrazol-5-amine
CID 105230688
4-(1-Hydrazinylbutyl)-1-methylpyrazol-5-amine
CID 105230717
4-(1-Hydrazinylpent-3-ynyl)-1-methylpyrazol-5-amine
CID 105230767
4-(1-Hydrazinyl-4-methylpent-4-enyl)-1-methylpyrazol-5-amine
CID 105230799

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene?
The IUPAC name of 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene (CID 141026959) is 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene.
What is the SMILES notation for 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene?
The canonical SMILES for 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene is CCn1ncc2c3c(cnc21)=CNNC=3.
What is the InChIKey of 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene?
The InChIKey is DSOZDDSFWGTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-2-15-10-9(6-14-15)8-5-13-12-4-7(8)3-11-10/h3-6,12-13H,2H2,1H3.
What are the key properties of 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene?
5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene has a molecular weight of 201.23 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5,7,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9-pentaene is sourced from PubChem (CID 141026959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).