N-ethyl-1-pentyltetrazol-5-amine;hydrochloride

C8H18ClN5 — CID 3031921

IUPACN-ethyl-1-pentyltetrazol-5-amine;hydrochloride
SMILESCCCCCn1nnnc1NCC.Cl
InChIInChI=1S/C8H17N5.ClH/c1-3-5-6-7-13-8(9-4-2)10-11-12-13;/h3-7H2,1-2H3,(H,9,10,12);1H
InChIKeyVZDCQBPDZIJRCI-UHFFFAOYSA-N
MW219.72 g/mol
LogP1.72
Rot. Bonds6

About N-ethyl-1-pentyltetrazol-5-amine;hydrochloride

N-ethyl-1-pentyltetrazol-5-amine;hydrochloride (PubChem CID 3031921) has the molecular formula C8H18ClN5 and a molecular weight of 219.72 g/mol. Its IUPAC name is N-ethyl-1-pentyltetrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-pentyltetrazol-5-amine;hydrochloride
PubChem CID3031921
Molecular FormulaC8H18ClN5
Molecular Weight219.72 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-1-pentyltetrazol-5-amine;hydrochloride
SMILESCCCCCn1nnnc1NCC.Cl
InChIInChI=1S/C8H17N5.ClH/c1-3-5-6-7-13-8(9-4-2)10-11-12-13;/h3-7H2,1-2H3,(H,9,10,12);1H
InChIKeyVZDCQBPDZIJRCI-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1H-Tetrazol-5-amine, 1-octyl-
CID 94968
N,1-dicyclohexyltetrazol-5-amine
CID 2054813
1-Undecyltetrazol-5-amine
CID 223467
1-Ethyl-5-(ethylamino)-1H-tetrazole hydrochloride
CID 3031928
5-Amino-1-dodecyltetrazole
CID 10515057
1-Hexyltetrazol-5-amine
CID 223449
1-Butyl-5-(ethylamino)-1H-tetrazole hydrochloride
CID 3031881
1-Cyclohexyl-5-methylamino-1H-tetrazole hydrochloride
CID 3031889
5-(Ethylamino)-1-heptyl-1H-tetrazole hydrochloride
CID 3031911
5-(Ethylamino)-1-isobutyl-1H-tetrazole hydrochloride
CID 3031913
5-(Ethylamino)-1-isopentyl-1H-tetrazole hydrochloride
CID 3031915
5-(Ethylamino)-1-isopropyl-1H-tetrazole hydrochloride
CID 3031917

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pentyltetrazol-5-amine;hydrochloride?
The IUPAC name of N-ethyl-1-pentyltetrazol-5-amine;hydrochloride (CID 3031921) is N-ethyl-1-pentyltetrazol-5-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1-pentyltetrazol-5-amine;hydrochloride?
The canonical SMILES for N-ethyl-1-pentyltetrazol-5-amine;hydrochloride is CCCCCn1nnnc1NCC.Cl.
What is the InChIKey of N-ethyl-1-pentyltetrazol-5-amine;hydrochloride?
The InChIKey is VZDCQBPDZIJRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5.ClH/c1-3-5-6-7-13-8(9-4-2)10-11-12-13;/h3-7H2,1-2H3,(H,9,10,12);1H.
What are the key properties of N-ethyl-1-pentyltetrazol-5-amine;hydrochloride?
N-ethyl-1-pentyltetrazol-5-amine;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pentyltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).