1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine

C7H11N5 — CID 89322385

IUPAC1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine
SMILESC=C(C)/C=C(/C)n1nnnc1N
InChIInChI=1S/C7H11N5/c1-5(2)4-6(3)12-7(8)9-10-11-12/h4H,1H2,2-3H3,(H2,8,9,11)/b6-4-
InChIKeyUWDUYXQCZMWTJK-XQRVVYSFSA-N
MW165.20 g/mol
LogP0.69
Rot. Bonds2

About 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine

1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine (PubChem CID 89322385) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine
PubChem CID89322385
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine
SMILESC=C(C)/C=C(/C)n1nnnc1N
InChIInChI=1S/C7H11N5/c1-5(2)4-6(3)12-7(8)9-10-11-12/h4H,1H2,2-3H3,(H2,8,9,11)/b6-4-
InChIKeyUWDUYXQCZMWTJK-XQRVVYSFSA-N
XLogP0.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine?
The IUPAC name of 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine (CID 89322385) is 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine.
What is the SMILES notation for 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine?
The canonical SMILES for 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine is C=C(C)/C=C(/C)n1nnnc1N.
What is the InChIKey of 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine?
The InChIKey is UWDUYXQCZMWTJK-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11N5/c1-5(2)4-6(3)12-7(8)9-10-11-12/h4H,1H2,2-3H3,(H2,8,9,11)/b6-4-.
What are the key properties of 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine?
1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine has a molecular weight of 165.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-4-methylpenta-2,4-dien-2-yl]tetrazol-5-amine is sourced from PubChem (CID 89322385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).