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

C6H7N3 — CID 89033292

IUPAC3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1n[nH]c2cccn12
InChIInChI=1S/C6H7N3/c1-5-7-8-6-3-2-4-9(5)6/h2-4,8H,1H3
InChIKeyXWNROLDSACQQLV-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.97
Rot. Bonds

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

3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 89033292) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID89033292
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1n[nH]c2cccn12
InChIInChI=1S/C6H7N3/c1-5-7-8-6-3-2-4-9(5)6/h2-4,8H,1H3
InChIKeyXWNROLDSACQQLV-UHFFFAOYSA-N
XLogP0.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 22976819
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CID 58784211

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole (CID 89033292) is 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole is Cc1n[nH]c2cccn12.
What is the InChIKey of 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is XWNROLDSACQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-7-8-6-3-2-4-9(5)6/h2-4,8H,1H3.
What are the key properties of 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole?
3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 121.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 89033292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).