1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole

C8H13N7 — CID 56790425

IUPAC1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole
SMILESCCCCn1nnnc1Cn1cncn1
InChIInChI=1S/C8H13N7/c1-2-3-4-15-8(11-12-13-15)5-14-7-9-6-10-14/h6-7H,2-5H2,1H3
InChIKeyIWJXQNPLIZDTDT-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.11
Rot. Bonds5

About 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole

1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole (PubChem CID 56790425) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole.

Molecular Properties

Compound Name1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole
PubChem CID56790425
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole
SMILESCCCCn1nnnc1Cn1cncn1
InChIInChI=1S/C8H13N7/c1-2-3-4-15-8(11-12-13-15)5-14-7-9-6-10-14/h6-7H,2-5H2,1H3
InChIKeyIWJXQNPLIZDTDT-UHFFFAOYSA-N
XLogP0.11
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole?
The IUPAC name of 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole (CID 56790425) is 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole.
What is the SMILES notation for 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole?
The canonical SMILES for 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole is CCCCn1nnnc1Cn1cncn1.
What is the InChIKey of 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole?
The InChIKey is IWJXQNPLIZDTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-2-3-4-15-8(11-12-13-15)5-14-7-9-6-10-14/h6-7H,2-5H2,1H3.
What are the key properties of 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole?
1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole has a molecular weight of 207.24 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(1,2,4-triazol-1-ylmethyl)tetrazole is sourced from PubChem (CID 56790425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).