N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride

C7H16ClN5 — CID 3031913

IUPACN-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1CC(C)C.Cl
InChIInChI=1S/C7H15N5.ClH/c1-4-8-7-9-10-11-12(7)5-6(2)3;/h6H,4-5H2,1-3H3,(H,8,9,11);1H
InChIKeyWMYUDJUDRCTAOF-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.18
Rot. Bonds4

About N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride

N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride (PubChem CID 3031913) has the molecular formula C7H16ClN5 and a molecular weight of 205.69 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride
PubChem CID3031913
Molecular FormulaC7H16ClN5
Molecular Weight205.69 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1CC(C)C.Cl
InChIInChI=1S/C7H15N5.ClH/c1-4-8-7-9-10-11-12(7)5-6(2)3;/h6H,4-5H2,1-3H3,(H,8,9,11);1H
InChIKeyWMYUDJUDRCTAOF-UHFFFAOYSA-N
XLogP1.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride?
The IUPAC name of N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride (CID 3031913) is N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride?
The canonical SMILES for N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride is CCNc1nnnn1CC(C)C.Cl.
What is the InChIKey of N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride?
The InChIKey is WMYUDJUDRCTAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5.ClH/c1-4-8-7-9-10-11-12(7)5-6(2)3;/h6H,4-5H2,1-3H3,(H,8,9,11);1H.
What are the key properties of N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride?
N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpropyl)tetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).