6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole

C10H17N3 — CID 172632360

IUPAC6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole
SMILESCC(C)c1nnc2n1CC(C)(C)C2
InChIInChI=1S/C10H17N3/c1-7(2)9-12-11-8-5-10(3,4)6-13(8)9/h7H,5-6H2,1-4H3
InChIKeyURFNIBDWJOXXSJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.98
Rot. Bonds1

About 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole

6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole (PubChem CID 172632360) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole
PubChem CID172632360
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole
SMILESCC(C)c1nnc2n1CC(C)(C)C2
InChIInChI=1S/C10H17N3/c1-7(2)9-12-11-8-5-10(3,4)6-13(8)9/h7H,5-6H2,1-4H3
InChIKeyURFNIBDWJOXXSJ-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole (CID 172632360) is 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole is CC(C)c1nnc2n1CC(C)(C)C2.
What is the InChIKey of 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is URFNIBDWJOXXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9-12-11-8-5-10(3,4)6-13(8)9/h7H,5-6H2,1-4H3.
What are the key properties of 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole?
6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 179.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propan-2-yl-5,7-dihydropyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 172632360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).