1-heptyl-N-methyltetrazol-5-amine;hydrochloride

C9H20ClN5 — CID 3031935

IUPAC1-heptyl-N-methyltetrazol-5-amine;hydrochloride
SMILESCCCCCCCn1nnnc1NC.Cl
InChIInChI=1S/C9H19N5.ClH/c1-3-4-5-6-7-8-14-9(10-2)11-12-13-14;/h3-8H2,1-2H3,(H,10,11,13);1H
InChIKeyHMCBWPHPYKAZOB-UHFFFAOYSA-N
MW233.75 g/mol
LogP2.11
Rot. Bonds7

About 1-heptyl-N-methyltetrazol-5-amine;hydrochloride

1-heptyl-N-methyltetrazol-5-amine;hydrochloride (PubChem CID 3031935) has the molecular formula C9H20ClN5 and a molecular weight of 233.75 g/mol. Its IUPAC name is 1-heptyl-N-methyltetrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-heptyl-N-methyltetrazol-5-amine;hydrochloride
PubChem CID3031935
Molecular FormulaC9H20ClN5
Molecular Weight233.75 g/mol
Exact Mass233.14
IUPAC Name1-heptyl-N-methyltetrazol-5-amine;hydrochloride
SMILESCCCCCCCn1nnnc1NC.Cl
InChIInChI=1S/C9H19N5.ClH/c1-3-4-5-6-7-8-14-9(10-2)11-12-13-14;/h3-8H2,1-2H3,(H,10,11,13);1H
InChIKeyHMCBWPHPYKAZOB-UHFFFAOYSA-N
XLogP2.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.75
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-N-methyltetrazol-5-amine;hydrochloride?
The IUPAC name of 1-heptyl-N-methyltetrazol-5-amine;hydrochloride (CID 3031935) is 1-heptyl-N-methyltetrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-heptyl-N-methyltetrazol-5-amine;hydrochloride?
The canonical SMILES for 1-heptyl-N-methyltetrazol-5-amine;hydrochloride is CCCCCCCn1nnnc1NC.Cl.
What is the InChIKey of 1-heptyl-N-methyltetrazol-5-amine;hydrochloride?
The InChIKey is HMCBWPHPYKAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5.ClH/c1-3-4-5-6-7-8-14-9(10-2)11-12-13-14;/h3-8H2,1-2H3,(H,10,11,13);1H.
What are the key properties of 1-heptyl-N-methyltetrazol-5-amine;hydrochloride?
1-heptyl-N-methyltetrazol-5-amine;hydrochloride has a molecular weight of 233.75 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-N-methyltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).