1,7-dimethylpyrrolo[2,1-e]tetrazole

C6H8N4 — CID 10486902

IUPAC1,7-dimethylpyrrolo[2,1-e]tetrazole
SMILESCc1ccn2nnn(C)c12
InChIInChI=1S/C6H8N4/c1-5-3-4-10-6(5)9(2)7-8-10/h3-4H,1-2H3
InChIKeyILULGULTYFQUKR-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.38
Rot. Bonds

About 1,7-dimethylpyrrolo[2,1-e]tetrazole

1,7-dimethylpyrrolo[2,1-e]tetrazole (PubChem CID 10486902) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 1,7-dimethylpyrrolo[2,1-e]tetrazole.

Molecular Properties

Compound Name1,7-dimethylpyrrolo[2,1-e]tetrazole
PubChem CID10486902
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name1,7-dimethylpyrrolo[2,1-e]tetrazole
SMILESCc1ccn2nnn(C)c12
InChIInChI=1S/C6H8N4/c1-5-3-4-10-6(5)9(2)7-8-10/h3-4H,1-2H3
InChIKeyILULGULTYFQUKR-UHFFFAOYSA-N
XLogP0.38
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylpyrrolo[2,1-e]tetrazole?
The IUPAC name of 1,7-dimethylpyrrolo[2,1-e]tetrazole (CID 10486902) is 1,7-dimethylpyrrolo[2,1-e]tetrazole.
What is the SMILES notation for 1,7-dimethylpyrrolo[2,1-e]tetrazole?
The canonical SMILES for 1,7-dimethylpyrrolo[2,1-e]tetrazole is Cc1ccn2nnn(C)c12.
What is the InChIKey of 1,7-dimethylpyrrolo[2,1-e]tetrazole?
The InChIKey is ILULGULTYFQUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-5-3-4-10-6(5)9(2)7-8-10/h3-4H,1-2H3.
What are the key properties of 1,7-dimethylpyrrolo[2,1-e]tetrazole?
1,7-dimethylpyrrolo[2,1-e]tetrazole has a molecular weight of 136.16 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylpyrrolo[2,1-e]tetrazole is sourced from PubChem (CID 10486902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).