4-chloro-3-(1-pentyltetrazol-5-yl)aniline

C12H16ClN5 — CID 61353076

IUPAC4-chloro-3-(1-pentyltetrazol-5-yl)aniline
SMILESCCCCCn1nnnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C12H16ClN5/c1-2-3-4-7-18-12(15-16-17-18)10-8-9(14)5-6-11(10)13/h5-6,8H,2-4,7,14H2,1H3
InChIKeyVVAWHTBJPISMIQ-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.77
Rot. Bonds5

About 4-chloro-3-(1-pentyltetrazol-5-yl)aniline

4-chloro-3-(1-pentyltetrazol-5-yl)aniline (PubChem CID 61353076) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 4-chloro-3-(1-pentyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-chloro-3-(1-pentyltetrazol-5-yl)aniline
PubChem CID61353076
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name4-chloro-3-(1-pentyltetrazol-5-yl)aniline
SMILESCCCCCn1nnnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C12H16ClN5/c1-2-3-4-7-18-12(15-16-17-18)10-8-9(14)5-6-11(10)13/h5-6,8H,2-4,7,14H2,1H3
InChIKeyVVAWHTBJPISMIQ-UHFFFAOYSA-N
XLogP2.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-butyltetrazol-5-yl)-4-methylaniline
CID 61352668
3-(1-butyltetrazol-5-yl)-4-fluoroaniline
CID 61351874
4-chloro-3-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
CID 106010924
3-chloro-4-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82946634
4-chloro-3-[1-(2-cyclopentylethyl)tetrazol-5-yl]aniline
CID 61377416
3-chloro-4-[1-(3-ethoxypropyl)tetrazol-5-yl]aniline
CID 61377370
4-chloro-3-[1-(2,2-difluoroethyl)tetrazol-5-yl]aniline
CID 113304028
2-(1-butyltetrazol-5-yl)-5-chloroaniline
CID 61353252
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532
4-methyl-3-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82946463
5-bromo-2-methyl-3-(1-pentyltetrazol-5-yl)aniline
CID 107873939
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-4-chloroaniline
CID 61414414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-pentyltetrazol-5-yl)aniline?
The IUPAC name of 4-chloro-3-(1-pentyltetrazol-5-yl)aniline (CID 61353076) is 4-chloro-3-(1-pentyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-chloro-3-(1-pentyltetrazol-5-yl)aniline?
The canonical SMILES for 4-chloro-3-(1-pentyltetrazol-5-yl)aniline is CCCCCn1nnnc1-c1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-(1-pentyltetrazol-5-yl)aniline?
The InChIKey is VVAWHTBJPISMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-2-3-4-7-18-12(15-16-17-18)10-8-9(14)5-6-11(10)13/h5-6,8H,2-4,7,14H2,1H3.
What are the key properties of 4-chloro-3-(1-pentyltetrazol-5-yl)aniline?
4-chloro-3-(1-pentyltetrazol-5-yl)aniline has a molecular weight of 265.75 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-pentyltetrazol-5-yl)aniline is sourced from PubChem (CID 61353076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).