3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C11H19N3 — CID 90363126

IUPAC3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCC(C)(CC)c1nnc2n1CCC2
InChIInChI=1S/C11H19N3/c1-4-11(3,5-2)10-13-12-9-7-6-8-14(9)10/h4-8H2,1-3H3
InChIKeyCKFSFHNMEHNVGB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.30
Rot. Bonds3

About 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 90363126) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID90363126
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCC(C)(CC)c1nnc2n1CCC2
InChIInChI=1S/C11H19N3/c1-4-11(3,5-2)10-13-12-9-7-6-8-14(9)10/h4-8H2,1-3H3
InChIKeyCKFSFHNMEHNVGB-UHFFFAOYSA-N
XLogP2.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 90363126) is 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is CCC(C)(CC)c1nnc2n1CCC2.
What is the InChIKey of 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is CKFSFHNMEHNVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-11(3,5-2)10-13-12-9-7-6-8-14(9)10/h4-8H2,1-3H3.
What are the key properties of 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 193.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 90363126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).