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

C10H17N3 — CID 170928537

IUPAC3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1nnc2n1C(CC(C)C)CC2
InChIInChI=1S/C10H17N3/c1-7(2)6-9-4-5-10-12-11-8(3)13(9)10/h7,9H,4-6H2,1-3H3
InChIKeyGMYAQSKXCHZQER-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.12
Rot. Bonds2

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

3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 170928537) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID170928537
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1nnc2n1C(CC(C)C)CC2
InChIInChI=1S/C10H17N3/c1-7(2)6-9-4-5-10-12-11-8(3)13(9)10/h7,9H,4-6H2,1-3H3
InChIKeyGMYAQSKXCHZQER-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 170928537) is 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Cc1nnc2n1C(CC(C)C)CC2.
What is the InChIKey of 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is GMYAQSKXCHZQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)6-9-4-5-10-12-11-8(3)13(9)10/h7,9H,4-6H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 179.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 170928537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).