3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole

C6H7N3 — CID 89033284

IUPAC3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1nnc2n1CC=C2
InChIInChI=1S/C6H7N3/c1-5-7-8-6-3-2-4-9(5)6/h2-3H,4H2,1H3
InChIKeyMCKLAQGUDFKTDI-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.61
Rot. Bonds

About 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole

3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 89033284) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID89033284
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1nnc2n1CC=C2
InChIInChI=1S/C6H7N3/c1-5-7-8-6-3-2-4-9(5)6/h2-3H,4H2,1H3
InChIKeyMCKLAQGUDFKTDI-UHFFFAOYSA-N
XLogP0.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 20650412
3-methyl-7H-pyrrolo[2,1-c][1,2,4]triazole
CID 20722811
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
3-Ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)
CID 58904784
3-Methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59451901
3-tert-butyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 59825824
3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89233363
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 89033284) is 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole is Cc1nnc2n1CC=C2.
What is the InChIKey of 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is MCKLAQGUDFKTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-7-8-6-3-2-4-9(5)6/h2-3H,4H2,1H3.
What are the key properties of 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 121.14 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 89033284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).