5-propyl-2,5-dihydro-1H-tetrazole

C4H10N4 — CID 142954031

IUPAC5-propyl-2,5-dihydro-1H-tetrazole
SMILESCCCC1N=NNN1
InChIInChI=1S/C4H10N4/c1-2-3-4-5-7-8-6-4/h4H,2-3H2,1H3,(H,5,8)(H,6,7)
InChIKeyXDNDOBCZYNLHQF-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.59
Rot. Bonds2

About 5-propyl-2,5-dihydro-1H-tetrazole

5-propyl-2,5-dihydro-1H-tetrazole (PubChem CID 142954031) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 5-propyl-2,5-dihydro-1H-tetrazole.

Molecular Properties

Compound Name5-propyl-2,5-dihydro-1H-tetrazole
PubChem CID142954031
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name5-propyl-2,5-dihydro-1H-tetrazole
SMILESCCCC1N=NNN1
InChIInChI=1S/C4H10N4/c1-2-3-4-5-7-8-6-4/h4H,2-3H2,1H3,(H,5,8)(H,6,7)
InChIKeyXDNDOBCZYNLHQF-UHFFFAOYSA-N
XLogP0.59
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2,5-dihydro-1H-tetrazole?
The IUPAC name of 5-propyl-2,5-dihydro-1H-tetrazole (CID 142954031) is 5-propyl-2,5-dihydro-1H-tetrazole.
What is the SMILES notation for 5-propyl-2,5-dihydro-1H-tetrazole?
The canonical SMILES for 5-propyl-2,5-dihydro-1H-tetrazole is CCCC1N=NNN1.
What is the InChIKey of 5-propyl-2,5-dihydro-1H-tetrazole?
The InChIKey is XDNDOBCZYNLHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c1-2-3-4-5-7-8-6-4/h4H,2-3H2,1H3,(H,5,8)(H,6,7).
What are the key properties of 5-propyl-2,5-dihydro-1H-tetrazole?
5-propyl-2,5-dihydro-1H-tetrazole has a molecular weight of 114.15 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2,5-dihydro-1H-tetrazole is sourced from PubChem (CID 142954031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).