5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole

C5H7N7 — CID 107044017

IUPAC5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole
SMILESCn1cc(Cc2nn[nH]n2)nn1
InChIInChI=1S/C5H7N7/c1-12-3-4(6-11-12)2-5-7-9-10-8-5/h3H,2H2,1H3,(H,7,8,9,10)
InChIKeyZKJFMIYYJCGIQS-UHFFFAOYSA-N
MW165.16 g/mol
LogP-1.08
Rot. Bonds2

About 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole

5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole (PubChem CID 107044017) has the molecular formula C5H7N7 and a molecular weight of 165.16 g/mol. Its IUPAC name is 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole
PubChem CID107044017
Molecular FormulaC5H7N7
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole
SMILESCn1cc(Cc2nn[nH]n2)nn1
InChIInChI=1S/C5H7N7/c1-12-3-4(6-11-12)2-5-7-9-10-8-5/h3H,2H2,1H3,(H,7,8,9,10)
InChIKeyZKJFMIYYJCGIQS-UHFFFAOYSA-N
XLogP-1.08
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole (CID 107044017) is 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole is Cn1cc(Cc2nn[nH]n2)nn1.
What is the InChIKey of 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole?
The InChIKey is ZKJFMIYYJCGIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7/c1-12-3-4(6-11-12)2-5-7-9-10-8-5/h3H,2H2,1H3,(H,7,8,9,10).
What are the key properties of 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole?
5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole has a molecular weight of 165.16 g/mol, XLogP of -1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyltriazol-4-yl)methyl]-2H-tetrazole is sourced from PubChem (CID 107044017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).