[1-(2-phenylpropyl)tetrazol-5-yl]methanamine

C11H15N5 — CID 104592309

IUPAC[1-(2-phenylpropyl)tetrazol-5-yl]methanamine
SMILESCC(Cn1nnnc1CN)c1ccccc1
InChIInChI=1S/C11H15N5/c1-9(10-5-3-2-4-6-10)8-16-11(7-12)13-14-15-16/h2-6,9H,7-8,12H2,1H3
InChIKeyDNNZAPUJZRGARH-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.94
Rot. Bonds4

About [1-(2-phenylpropyl)tetrazol-5-yl]methanamine

[1-(2-phenylpropyl)tetrazol-5-yl]methanamine (PubChem CID 104592309) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [1-(2-phenylpropyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-phenylpropyl)tetrazol-5-yl]methanamine
PubChem CID104592309
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[1-(2-phenylpropyl)tetrazol-5-yl]methanamine
SMILESCC(Cn1nnnc1CN)c1ccccc1
InChIInChI=1S/C11H15N5/c1-9(10-5-3-2-4-6-10)8-16-11(7-12)13-14-15-16/h2-6,9H,7-8,12H2,1H3
InChIKeyDNNZAPUJZRGARH-UHFFFAOYSA-N
XLogP0.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methylpropyl)tetrazol-5-yl]methanamine
CID 62736877
N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62988235
3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
CID 82228413
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
CID 62736131
(1-propyltetrazol-5-yl)methanamine
CID 62736890
2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine
CID 112519176
(1-trityltetrazol-5-yl)methanamine
CID 57355261
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 81067843
[1-[2-(3-methylphenyl)ethyl]tetrazol-5-yl]methanamine
CID 62736531
2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66052129
[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]methanamine
CID 62761163
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylpropyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2-phenylpropyl)tetrazol-5-yl]methanamine (CID 104592309) is [1-(2-phenylpropyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2-phenylpropyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2-phenylpropyl)tetrazol-5-yl]methanamine is CC(Cn1nnnc1CN)c1ccccc1.
What is the InChIKey of [1-(2-phenylpropyl)tetrazol-5-yl]methanamine?
The InChIKey is DNNZAPUJZRGARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9(10-5-3-2-4-6-10)8-16-11(7-12)13-14-15-16/h2-6,9H,7-8,12H2,1H3.
What are the key properties of [1-(2-phenylpropyl)tetrazol-5-yl]methanamine?
[1-(2-phenylpropyl)tetrazol-5-yl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylpropyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 104592309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).