4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene

C10H17N5 — CID 136840128

IUPAC4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene
SMILESCCc1nc2n(n1)C1CCNCC1CN2
InChIInChI=1S/C10H17N5/c1-2-9-13-10-12-6-7-5-11-4-3-8(7)15(10)14-9/h7-8,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyLOVFHRJTNHHBDK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.42
Rot. Bonds1

About 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene

4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene (PubChem CID 136840128) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene.

Molecular Properties

Compound Name4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene
PubChem CID136840128
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene
SMILESCCc1nc2n(n1)C1CCNCC1CN2
InChIInChI=1S/C10H17N5/c1-2-9-13-10-12-6-7-5-11-4-3-8(7)15(10)14-9/h7-8,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyLOVFHRJTNHHBDK-UHFFFAOYSA-N
XLogP0.42
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclobutyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136840547
7-piperidin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840288
4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136838955
14-methyl-1,5,9,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-10,12,14,16-tetraene
CID 137012230
4-tert-butyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136839393
3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole
CID 63032199
4-heptan-3-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136838287
2-ethyl-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840120
2-(2-ethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136840091
4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazoline-2-carboxamide
CID 136839195
2-[7-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 136776020
7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene?
The IUPAC name of 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene (CID 136840128) is 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene.
What is the SMILES notation for 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene?
The canonical SMILES for 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene is CCc1nc2n(n1)C1CCNCC1CN2.
What is the InChIKey of 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene?
The InChIKey is LOVFHRJTNHHBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-9-13-10-12-6-7-5-11-4-3-8(7)15(10)14-9/h7-8,11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene?
4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene has a molecular weight of 207.28 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene is sourced from PubChem (CID 136840128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).