3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C9H12N6 — CID 118607901

IUPAC3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1ncnc1-c1nc2c(n1C)CNC2
InChIInChI=1S/C9H12N6/c1-14-7-4-10-3-6(7)13-9(14)8-11-5-12-15(8)2/h5,10H,3-4H2,1-2H3
InChIKeyMCJXCVXFHMKKRU-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.18
Rot. Bonds1

About 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118607901) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118607901
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCn1ncnc1-c1nc2c(n1C)CNC2
InChIInChI=1S/C9H12N6/c1-14-7-4-10-3-6(7)13-9(14)8-11-5-12-15(8)2/h5,10H,3-4H2,1-2H3
InChIKeyMCJXCVXFHMKKRU-UHFFFAOYSA-N
XLogP-0.18
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118607901) is 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is Cn1ncnc1-c1nc2c(n1C)CNC2.
What is the InChIKey of 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is MCJXCVXFHMKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-14-7-4-10-3-6(7)13-9(14)8-11-5-12-15(8)2/h5,10H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 204.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118607901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).