5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole

C8H10ClN7 — CID 62399328

IUPAC5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole
SMILESClCc1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C8H10ClN7/c9-3-6-4-15(13-10-6)5-8-11-12-14-16(8)7-1-2-7/h4,7H,1-3,5H2
InChIKeyIYGFJOQCXZQWMC-UHFFFAOYSA-N
MW239.67 g/mol
LogP0.39
Rot. Bonds4

About 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole

5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole (PubChem CID 62399328) has the molecular formula C8H10ClN7 and a molecular weight of 239.67 g/mol. Its IUPAC name is 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole.

Molecular Properties

Compound Name5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole
PubChem CID62399328
Molecular FormulaC8H10ClN7
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole
SMILESClCc1cn(Cc2nnnn2C2CC2)nn1
InChIInChI=1S/C8H10ClN7/c9-3-6-4-15(13-10-6)5-8-11-12-14-16(8)7-1-2-7/h4,7H,1-3,5H2
InChIKeyIYGFJOQCXZQWMC-UHFFFAOYSA-N
XLogP0.39
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole?
The IUPAC name of 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole (CID 62399328) is 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole.
What is the SMILES notation for 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole?
The canonical SMILES for 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole is ClCc1cn(Cc2nnnn2C2CC2)nn1.
What is the InChIKey of 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole?
The InChIKey is IYGFJOQCXZQWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN7/c9-3-6-4-15(13-10-6)5-8-11-12-14-16(8)7-1-2-7/h4,7H,1-3,5H2.
What are the key properties of 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole?
5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole has a molecular weight of 239.67 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(chloromethyl)triazol-1-yl]methyl]-1-cyclopropyltetrazole is sourced from PubChem (CID 62399328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).