1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole

C7H11N7 — CID 134855520

IUPAC1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole
SMILESc1nncn1CCCCn1cnnn1
InChIInChI=1S/C7H11N7/c1(3-13-5-8-9-6-13)2-4-14-7-10-11-12-14/h5-7H,1-4H2
InChIKeyRFLFEDYVCFHLAD-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.25
Rot. Bonds5

About 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole

1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole (PubChem CID 134855520) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole.

Molecular Properties

Compound Name1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole
PubChem CID134855520
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole
SMILESc1nncn1CCCCn1cnnn1
InChIInChI=1S/C7H11N7/c1(3-13-5-8-9-6-13)2-4-14-7-10-11-12-14/h5-7H,1-4H2
InChIKeyRFLFEDYVCFHLAD-UHFFFAOYSA-N
XLogP-0.25
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Triazbutil
CID 27760
6-(Pyrrolidin-l-yl)-1,2,4-triazolo[4,3-b][1,2,4,5]tetrazine
CID 566048
1-(pyrrolidin-1-ylmethyl)-1H-1,2,4-triazole
CID 3845762
1-(2-Pyrrolidinylethyl)-1H-1,2,4-triazole
CID 206232
1,2-Di(1H-1,2,4-triazol-1-yl)ethane
CID 683665
1,4-Bis(tetrazol-1-yl)butane
CID 15533013
1,3-Di(1H-1,2,4-triazole-1-yl)propane
CID 15877518
1,1'-(1,4-Butanediyl)bis(1H-1,2,4-triazole)
CID 15877519
1,2-Di(4H-1,2,4-triazol-4-yl)ethane
CID 85769837
1,6-di(1H-1,2,4-triazol-1-yl)hexane
CID 85896920
1,5-Bis(tetrazol-1-yl)pentane
CID 102182711
1-(Tetrazol-1-yl)-3-(tetrazol-2-yl)propane
CID 102517128

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole?
The IUPAC name of 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole (CID 134855520) is 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole.
What is the SMILES notation for 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole?
The canonical SMILES for 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole is c1nncn1CCCCn1cnnn1.
What is the InChIKey of 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole?
The InChIKey is RFLFEDYVCFHLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1(3-13-5-8-9-6-13)2-4-14-7-10-11-12-14/h5-7H,1-4H2.
What are the key properties of 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole?
1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole has a molecular weight of 193.21 g/mol, XLogP of -0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2,4-triazol-4-yl)butyl]tetrazole is sourced from PubChem (CID 134855520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).