5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole

C6H9N7 — CID 130616524

IUPAC5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
SMILESCc1nnnn1Cc1cn(C)nn1
InChIInChI=1S/C6H9N7/c1-5-7-9-11-13(5)4-6-3-12(2)10-8-6/h3H,4H2,1-2H3
InChIKeyWANNJLNBERADRN-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.84
Rot. Bonds2

About 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole

5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole (PubChem CID 130616524) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole.

Molecular Properties

Compound Name5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
PubChem CID130616524
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
SMILESCc1nnnn1Cc1cn(C)nn1
InChIInChI=1S/C6H9N7/c1-5-7-9-11-13(5)4-6-3-12(2)10-8-6/h3H,4H2,1-2H3
InChIKeyWANNJLNBERADRN-UHFFFAOYSA-N
XLogP-0.84
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole?
The IUPAC name of 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole (CID 130616524) is 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole.
What is the SMILES notation for 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole?
The canonical SMILES for 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole is Cc1nnnn1Cc1cn(C)nn1.
What is the InChIKey of 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole?
The InChIKey is WANNJLNBERADRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-5-7-9-11-13(5)4-6-3-12(2)10-8-6/h3H,4H2,1-2H3.
What are the key properties of 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole?
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole has a molecular weight of 179.19 g/mol, XLogP of -0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole is sourced from PubChem (CID 130616524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).