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

C11H14ClN5 — CID 82228424

IUPAC3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN5/c12-10-5-3-9(4-6-10)8-17-11(2-1-7-13)14-15-16-17/h3-6H,1-2,7-8,13H2
InChIKeyRTEZWWISGUKXAZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.27
Rot. Bonds5

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

3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine (PubChem CID 82228424) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
PubChem CID82228424
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
SMILESNCCCc1nnnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN5/c12-10-5-3-9(4-6-10)8-17-11(2-1-7-13)14-15-16-17/h3-6H,1-2,7-8,13H2
InChIKeyRTEZWWISGUKXAZ-UHFFFAOYSA-N
XLogP1.27
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
CID 112518468
2-[1-[(4-butan-2-ylphenyl)methyl]tetrazol-5-yl]ethanamine
CID 112519176
3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
CID 82228072
1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole
CID 172619601
3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
CID 66144586
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 115069683
4-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387362
3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine
CID 82228414
1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
CID 23354570
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-amine
CID 79505932
3-[1-(cyclohexylmethyl)tetrazol-5-yl]propan-1-amine
CID 84688704

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine (CID 82228424) is 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine is NCCCc1nnnn1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine?
The InChIKey is RTEZWWISGUKXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c12-10-5-3-9(4-6-10)8-17-11(2-1-7-13)14-15-16-17/h3-6H,1-2,7-8,13H2.
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine?
3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine has a molecular weight of 251.72 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 82228424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).