3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]

C11H17N3 — CID 155157959

IUPAC3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]
SMILESCC(C)c1nnc2n1C1(CCC1)CC2
InChIInChI=1S/C11H17N3/c1-8(2)10-13-12-9-4-7-11(14(9)10)5-3-6-11/h8H,3-7H2,1-2H3
InChIKeyIFSRZQZDQOFWCN-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.23
Rot. Bonds1

About 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]

3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane] (PubChem CID 155157959) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane].

Molecular Properties

Compound Name3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]
PubChem CID155157959
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]
SMILESCC(C)c1nnc2n1C1(CCC1)CC2
InChIInChI=1S/C11H17N3/c1-8(2)10-13-12-9-4-7-11(14(9)10)5-3-6-11/h8H,3-7H2,1-2H3
InChIKeyIFSRZQZDQOFWCN-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]?
The IUPAC name of 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane] (CID 155157959) is 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane].
What is the SMILES notation for 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]?
The canonical SMILES for 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane] is CC(C)c1nnc2n1C1(CCC1)CC2.
What is the InChIKey of 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]?
The InChIKey is IFSRZQZDQOFWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(2)10-13-12-9-4-7-11(14(9)10)5-3-6-11/h8H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane]?
3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane] has a molecular weight of 191.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylspiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclobutane] is sourced from PubChem (CID 155157959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).