1-[3-(tetrazol-2-yl)propyl]tetrazole

C5H8N8 — CID 102517128

IUPAC1-[3-(tetrazol-2-yl)propyl]tetrazole
SMILESc1nnn(CCCn2cnnn2)n1
InChIInChI=1S/C5H8N8/c1(2-12-5-7-9-11-12)3-13-8-4-6-10-13/h4-5H,1-3H2
InChIKeyQSBQUJQXSQSLRZ-UHFFFAOYSA-N
MW180.18 g/mol
LogP-1.25
Rot. Bonds4

About 1-[3-(tetrazol-2-yl)propyl]tetrazole

1-[3-(tetrazol-2-yl)propyl]tetrazole (PubChem CID 102517128) has the molecular formula C5H8N8 and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-[3-(tetrazol-2-yl)propyl]tetrazole.

Molecular Properties

Compound Name1-[3-(tetrazol-2-yl)propyl]tetrazole
PubChem CID102517128
Molecular FormulaC5H8N8
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name1-[3-(tetrazol-2-yl)propyl]tetrazole
SMILESc1nnn(CCCn2cnnn2)n1
InChIInChI=1S/C5H8N8/c1(2-12-5-7-9-11-12)3-13-8-4-6-10-13/h4-5H,1-3H2
InChIKeyQSBQUJQXSQSLRZ-UHFFFAOYSA-N
XLogP-1.25
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tetrazol-2-yl)propyl]tetrazole?
The IUPAC name of 1-[3-(tetrazol-2-yl)propyl]tetrazole (CID 102517128) is 1-[3-(tetrazol-2-yl)propyl]tetrazole.
What is the SMILES notation for 1-[3-(tetrazol-2-yl)propyl]tetrazole?
The canonical SMILES for 1-[3-(tetrazol-2-yl)propyl]tetrazole is c1nnn(CCCn2cnnn2)n1.
What is the InChIKey of 1-[3-(tetrazol-2-yl)propyl]tetrazole?
The InChIKey is QSBQUJQXSQSLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N8/c1(2-12-5-7-9-11-12)3-13-8-4-6-10-13/h4-5H,1-3H2.
What are the key properties of 1-[3-(tetrazol-2-yl)propyl]tetrazole?
1-[3-(tetrazol-2-yl)propyl]tetrazole has a molecular weight of 180.18 g/mol, XLogP of -1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tetrazol-2-yl)propyl]tetrazole is sourced from PubChem (CID 102517128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).