1-(1-phenylpropyl)tetrazol-5-amine

C10H13N5 — CID 79506714

IUPAC1-(1-phenylpropyl)tetrazol-5-amine
SMILESCCC(c1ccccc1)n1nnnc1N
InChIInChI=1S/C10H13N5/c1-2-9(8-6-4-3-5-7-8)15-10(11)12-13-14-15/h3-7,9H,2H2,1H3,(H2,11,12,14)
InChIKeyLQFKLMXUYHJVHX-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.25
Rot. Bonds3

About 1-(1-phenylpropyl)tetrazol-5-amine

1-(1-phenylpropyl)tetrazol-5-amine (PubChem CID 79506714) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(1-phenylpropyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(1-phenylpropyl)tetrazol-5-amine
PubChem CID79506714
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-(1-phenylpropyl)tetrazol-5-amine
SMILESCCC(c1ccccc1)n1nnnc1N
InChIInChI=1S/C10H13N5/c1-2-9(8-6-4-3-5-7-8)15-10(11)12-13-14-15/h3-7,9H,2H2,1H3,(H2,11,12,14)
InChIKeyLQFKLMXUYHJVHX-UHFFFAOYSA-N
XLogP1.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropyl)tetrazol-5-amine?
The IUPAC name of 1-(1-phenylpropyl)tetrazol-5-amine (CID 79506714) is 1-(1-phenylpropyl)tetrazol-5-amine.
What is the SMILES notation for 1-(1-phenylpropyl)tetrazol-5-amine?
The canonical SMILES for 1-(1-phenylpropyl)tetrazol-5-amine is CCC(c1ccccc1)n1nnnc1N.
What is the InChIKey of 1-(1-phenylpropyl)tetrazol-5-amine?
The InChIKey is LQFKLMXUYHJVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-9(8-6-4-3-5-7-8)15-10(11)12-13-14-15/h3-7,9H,2H2,1H3,(H2,11,12,14).
What are the key properties of 1-(1-phenylpropyl)tetrazol-5-amine?
1-(1-phenylpropyl)tetrazol-5-amine has a molecular weight of 203.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropyl)tetrazol-5-amine is sourced from PubChem (CID 79506714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).