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

C10H17N3 — CID 166647940

IUPAC3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCC(C)(C)c1nnc2n1CCC2
InChIInChI=1S/C10H17N3/c1-4-10(2,3)9-12-11-8-6-5-7-13(8)9/h4-7H2,1-3H3
InChIKeyMGPZDACPFJEMAU-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.91
Rot. Bonds2

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

3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 166647940) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID166647940
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCCC(C)(C)c1nnc2n1CCC2
InChIInChI=1S/C10H17N3/c1-4-10(2,3)9-12-11-8-6-5-7-13(8)9/h4-7H2,1-3H3
InChIKeyMGPZDACPFJEMAU-UHFFFAOYSA-N
XLogP1.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butan-1-amine
CID 113308654
1-cyclopropyl-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 64669078
3-[(2R)-2-(4-chlorophenyl)butan-2-yl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 142840407
1,1,1-trifluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-amine
CID 81057793
3-(2,2-dimethylpropyl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 146137274
3-iodo-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 163769825
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,2-dimethylpropan-1-amine
CID 43470330
2,2-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propan-1-amine
CID 61325147
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentan-3-amine
CID 43748148
3-[2-(4-chlorophenyl)propan-2-yl]-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine;methoxymethoxyethane
CID 142840511
3-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81495381
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pentan-1-amine
CID 43470331

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 166647940) is 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is CCC(C)(C)c1nnc2n1CCC2.
What is the InChIKey of 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is MGPZDACPFJEMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-10(2,3)9-12-11-8-6-5-7-13(8)9/h4-7H2,1-3H3.
What are the key properties of 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 179.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 166647940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).