3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine

C12H17N5 — CID 61374258

IUPAC3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
SMILESCCc1ccc(-c2nnnn2CCCN)cc1
InChIInChI=1S/C12H17N5/c1-2-10-4-6-11(7-5-10)12-14-15-16-17(12)9-3-8-13/h4-7H,2-3,8-9,13H2,1H3
InChIKeyYOAAWERDBJBRNF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.25
Rot. Bonds5

About 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine

3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine (PubChem CID 61374258) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
PubChem CID61374258
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
SMILESCCc1ccc(-c2nnnn2CCCN)cc1
InChIInChI=1S/C12H17N5/c1-2-10-4-6-11(7-5-10)12-14-15-16-17(12)9-3-8-13/h4-7H,2-3,8-9,13H2,1H3
InChIKeyYOAAWERDBJBRNF-UHFFFAOYSA-N
XLogP1.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
4-[5-(4-ethylphenyl)tetrazol-1-yl]butanoic acid
CID 66044129
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine
CID 82228458
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine (CID 61374258) is 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine is CCc1ccc(-c2nnnn2CCCN)cc1.
What is the InChIKey of 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is YOAAWERDBJBRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-10-4-6-11(7-5-10)12-14-15-16-17(12)9-3-8-13/h4-7H,2-3,8-9,13H2,1H3.
What are the key properties of 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine?
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 61374258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).