3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C10H16N4 — CID 102894913

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCn1cnnc1C1NCC2CCCC21
InChIInChI=1S/C10H16N4/c1-14-6-12-13-10(14)9-8-4-2-3-7(8)5-11-9/h6-9,11H,2-5H2,1H3
InChIKeyJCFHYECMYYWPBB-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.88
Rot. Bonds1

About 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 102894913) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID102894913
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCn1cnnc1C1NCC2CCCC21
InChIInChI=1S/C10H16N4/c1-14-6-12-13-10(14)9-8-4-2-3-7(8)5-11-9/h6-9,11H,2-5H2,1H3
InChIKeyJCFHYECMYYWPBB-UHFFFAOYSA-N
XLogP0.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 102894913) is 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is Cn1cnnc1C1NCC2CCCC21.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is JCFHYECMYYWPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-14-6-12-13-10(14)9-8-4-2-3-7(8)5-11-9/h6-9,11H,2-5H2,1H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 192.27 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 102894913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).