4-[1-(4-propylphenyl)tetrazol-5-yl]aniline

C16H17N5 — CID 61352802

IUPAC4-[1-(4-propylphenyl)tetrazol-5-yl]aniline
SMILESCCCc1ccc(-n2nnnc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C16H17N5/c1-2-3-12-4-10-15(11-5-12)21-16(18-19-20-21)13-6-8-14(17)9-7-13/h4-11H,2-3,17H2,1H3
InChIKeyBIFFRQHKYGBCBJ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.86
Rot. Bonds4

About 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline

4-[1-(4-propylphenyl)tetrazol-5-yl]aniline (PubChem CID 61352802) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-propylphenyl)tetrazol-5-yl]aniline
PubChem CID61352802
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name4-[1-(4-propylphenyl)tetrazol-5-yl]aniline
SMILESCCCc1ccc(-n2nnnc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C16H17N5/c1-2-3-12-4-10-15(11-5-12)21-16(18-19-20-21)13-6-8-14(17)9-7-13/h4-11H,2-3,17H2,1H3
InChIKeyBIFFRQHKYGBCBJ-UHFFFAOYSA-N
XLogP2.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353201
4-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61352610
4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol
CID 122501235
4-[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 107577692
[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228170
4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61353402
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
N-[4-(4-aminophenyl)phenyl]-4-propyl-N-(4-propylphenyl)aniline
CID 67658783
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propylphenyl)ethanone
CID 9407655
3-[1-[4-(diethylamino)phenyl]tetrazol-5-yl]aniline
CID 94971698
4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353799
4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
CID 61354005

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline (CID 61352802) is 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline is CCCc1ccc(-n2nnnc2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline?
The InChIKey is BIFFRQHKYGBCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-3-12-4-10-15(11-5-12)21-16(18-19-20-21)13-6-8-14(17)9-7-13/h4-11H,2-3,17H2,1H3.
What are the key properties of 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline?
4-[1-(4-propylphenyl)tetrazol-5-yl]aniline has a molecular weight of 279.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-propylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61352802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).