3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole

C8H13N3 — CID 59299775

IUPAC3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole
SMILESCc1nnc2n1CCC2(C)C
InChIInChI=1S/C8H13N3/c1-6-9-10-7-8(2,3)4-5-11(6)7/h4-5H2,1-3H3
InChIKeyMETNCNHKMRDVBO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.27
Rot. Bonds

About 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole

3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole (PubChem CID 59299775) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole
PubChem CID59299775
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole
SMILESCc1nnc2n1CCC2(C)C
InChIInChI=1S/C8H13N3/c1-6-9-10-7-8(2,3)4-5-11(6)7/h4-5H2,1-3H3
InChIKeyMETNCNHKMRDVBO-UHFFFAOYSA-N
XLogP1.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole (CID 59299775) is 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole is Cc1nnc2n1CCC2(C)C.
What is the InChIKey of 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is METNCNHKMRDVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-9-10-7-8(2,3)4-5-11(6)7/h4-5H2,1-3H3.
What are the key properties of 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole?
3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 151.21 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 59299775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).