3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole

C9H13N3 — CID 20693915

IUPAC3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC1=C(C)n2c(C)nnc2C1C
InChIInChI=1S/C9H13N3/c1-5-6(2)9-11-10-8(4)12(9)7(5)3/h6H,1-4H3
InChIKeyMCDYWRAMCLREES-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.95
Rot. Bonds

About 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole

3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 20693915) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID20693915
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCC1=C(C)n2c(C)nnc2C1C
InChIInChI=1S/C9H13N3/c1-5-6(2)9-11-10-8(4)12(9)7(5)3/h6H,1-4H3
InChIKeyMCDYWRAMCLREES-UHFFFAOYSA-N
XLogP1.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Fluoroethyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123853050
3,6-Dimethyl-7-propan-2-ylidenepyrazolo[5,1-c][1,2,4]triazole
CID 57879785
2,6-Dimethyl-7-propan-2-ylidenepyrazolo[1,5-b][1,2,4]triazole
CID 58322124
(7Z)-7-butan-2-ylidene-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazole
CID 68222987
5-Ethyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123297633
2,5,6,7-tetramethyl-7H-pyrrolo[1,2-b][1,2,4]triazole
CID 20693913

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole (CID 20693915) is 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole is CC1=C(C)n2c(C)nnc2C1C.
What is the InChIKey of 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is MCDYWRAMCLREES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-5-6(2)9-11-10-8(4)12(9)7(5)3/h6H,1-4H3.
What are the key properties of 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole?
3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 163.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetramethyl-7H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 20693915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).