1-(2-butoxyethyl)tetrazol-5-amine

C7H15N5O — CID 79507098

IUPAC1-(2-butoxyethyl)tetrazol-5-amine
SMILESCCCCOCCn1nnnc1N
InChIInChI=1S/C7H15N5O/c1-2-3-5-13-6-4-12-7(8)9-10-11-12/h2-6H2,1H3,(H2,8,9,11)
InChIKeyIDOCPDLILMRQHX-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.07
Rot. Bonds6

About 1-(2-butoxyethyl)tetrazol-5-amine

1-(2-butoxyethyl)tetrazol-5-amine (PubChem CID 79507098) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(2-butoxyethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2-butoxyethyl)tetrazol-5-amine
PubChem CID79507098
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name1-(2-butoxyethyl)tetrazol-5-amine
SMILESCCCCOCCn1nnnc1N
InChIInChI=1S/C7H15N5O/c1-2-3-5-13-6-4-12-7(8)9-10-11-12/h2-6H2,1H3,(H2,8,9,11)
InChIKeyIDOCPDLILMRQHX-UHFFFAOYSA-N
XLogP0.07
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-butoxyethyl)tetrazol-5-yl]methanamine
CID 62763678
1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine
CID 79506222
1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole
CID 103084495
N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62761177
1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine
CID 82702120
1-(3-triethoxysilylpropyl)tetrazol-5-amine
CID 142548028
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
5-cyclopropyl-1-(2-propoxyethyl)triazol-4-amine
CID 106459893
4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82940112
4-methyl-3-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82946463
2-methylpropyl 1-(2-butoxyethyl)-5-methyltriazole-4-carboxylate
CID 103112823
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
CID 104567537

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)tetrazol-5-amine?
The IUPAC name of 1-(2-butoxyethyl)tetrazol-5-amine (CID 79507098) is 1-(2-butoxyethyl)tetrazol-5-amine.
What is the SMILES notation for 1-(2-butoxyethyl)tetrazol-5-amine?
The canonical SMILES for 1-(2-butoxyethyl)tetrazol-5-amine is CCCCOCCn1nnnc1N.
What is the InChIKey of 1-(2-butoxyethyl)tetrazol-5-amine?
The InChIKey is IDOCPDLILMRQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-2-3-5-13-6-4-12-7(8)9-10-11-12/h2-6H2,1H3,(H2,8,9,11).
What are the key properties of 1-(2-butoxyethyl)tetrazol-5-amine?
1-(2-butoxyethyl)tetrazol-5-amine has a molecular weight of 185.23 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)tetrazol-5-amine is sourced from PubChem (CID 79507098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).