1-ethyltetrazole;propane

C6H14N4 — CID 169152322

IUPAC1-ethyltetrazole;propane
SMILESCCC.CCn1cnnn1
InChIInChI=1S/C3H6N4.C3H8/c1-2-7-3-4-5-6-7;1-3-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyTYBOVXVVMJMXEG-UHFFFAOYSA-N
MW142.21 g/mol
LogP1.11
Rot. Bonds1

About 1-ethyltetrazole;propane

1-ethyltetrazole;propane (PubChem CID 169152322) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1-ethyltetrazole;propane.

Molecular Properties

Compound Name1-ethyltetrazole;propane
PubChem CID169152322
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1-ethyltetrazole;propane
SMILESCCC.CCn1cnnn1
InChIInChI=1S/C3H6N4.C3H8/c1-2-7-3-4-5-6-7;1-3-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyTYBOVXVVMJMXEG-UHFFFAOYSA-N
XLogP1.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-1H-tetrazol-5-amine
CID 220622
1-butyl-1H-tetrazole
CID 12144386
1-Ethyl-1H-tetrazole
CID 13538284
1H-tetrazole, 1-(1,1-dimethylethyl)-
CID 642209
1-Propyl-1H-1,2,4-triazole
CID 13568501
1-Propyl-1H-tetrazole
CID 13760805
1-Hexyl-1H-tetrazole
CID 54142823
1H-Tetrazole, 1-(2-iodoethyl)-
CID 12056329
1-Isopropyl-1H-tetrazole
CID 12144388
N,N-dimethyl-2-(tetrazol-1-yl)ethanamine
CID 13145995
1-pentyl-1H-tetrazole
CID 13760806
1-Isobutyl-1H-tetrazole
CID 22320095

Frequently Asked Questions

What is the IUPAC name of 1-ethyltetrazole;propane?
The IUPAC name of 1-ethyltetrazole;propane (CID 169152322) is 1-ethyltetrazole;propane.
What is the SMILES notation for 1-ethyltetrazole;propane?
The canonical SMILES for 1-ethyltetrazole;propane is CCC.CCn1cnnn1.
What is the InChIKey of 1-ethyltetrazole;propane?
The InChIKey is TYBOVXVVMJMXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.C3H8/c1-2-7-3-4-5-6-7;1-3-2/h3H,2H2,1H3;3H2,1-2H3.
What are the key properties of 1-ethyltetrazole;propane?
1-ethyltetrazole;propane has a molecular weight of 142.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyltetrazole;propane is sourced from PubChem (CID 169152322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).