1-butyl-N-ethyltetrazol-5-amine;hydrochloride

C7H16ClN5 — CID 3031881

IUPAC1-butyl-N-ethyltetrazol-5-amine;hydrochloride
SMILESCCCCn1nnnc1NCC.Cl
InChIInChI=1S/C7H15N5.ClH/c1-3-5-6-12-7(8-4-2)9-10-11-12;/h3-6H2,1-2H3,(H,8,9,11);1H
InChIKeyAFORQXFVYKSOKJ-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.33
Rot. Bonds5

About 1-butyl-N-ethyltetrazol-5-amine;hydrochloride

1-butyl-N-ethyltetrazol-5-amine;hydrochloride (PubChem CID 3031881) has the molecular formula C7H16ClN5 and a molecular weight of 205.69 g/mol. Its IUPAC name is 1-butyl-N-ethyltetrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-butyl-N-ethyltetrazol-5-amine;hydrochloride
PubChem CID3031881
Molecular FormulaC7H16ClN5
Molecular Weight205.69 g/mol
Exact Mass205.11
IUPAC Name1-butyl-N-ethyltetrazol-5-amine;hydrochloride
SMILESCCCCn1nnnc1NCC.Cl
InChIInChI=1S/C7H15N5.ClH/c1-3-5-6-12-7(8-4-2)9-10-11-12;/h3-6H2,1-2H3,(H,8,9,11);1H
InChIKeyAFORQXFVYKSOKJ-UHFFFAOYSA-N
XLogP1.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-ethyltetrazol-5-amine;hydrochloride?
The IUPAC name of 1-butyl-N-ethyltetrazol-5-amine;hydrochloride (CID 3031881) is 1-butyl-N-ethyltetrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-butyl-N-ethyltetrazol-5-amine;hydrochloride?
The canonical SMILES for 1-butyl-N-ethyltetrazol-5-amine;hydrochloride is CCCCn1nnnc1NCC.Cl.
What is the InChIKey of 1-butyl-N-ethyltetrazol-5-amine;hydrochloride?
The InChIKey is AFORQXFVYKSOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5.ClH/c1-3-5-6-12-7(8-4-2)9-10-11-12;/h3-6H2,1-2H3,(H,8,9,11);1H.
What are the key properties of 1-butyl-N-ethyltetrazol-5-amine;hydrochloride?
1-butyl-N-ethyltetrazol-5-amine;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-ethyltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).