2-(1-butyltetrazol-5-yl)-5-chloroaniline

C11H14ClN5 — CID 61353252

IUPAC2-(1-butyltetrazol-5-yl)-5-chloroaniline
SMILESCCCCn1nnnc1-c1ccc(Cl)cc1N
InChIInChI=1S/C11H14ClN5/c1-2-3-6-17-11(14-15-16-17)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6,13H2,1H3
InChIKeyDMBJUTMWMXBSIL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.38
Rot. Bonds4

About 2-(1-butyltetrazol-5-yl)-5-chloroaniline

2-(1-butyltetrazol-5-yl)-5-chloroaniline (PubChem CID 61353252) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)-5-chloroaniline.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)-5-chloroaniline
PubChem CID61353252
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-(1-butyltetrazol-5-yl)-5-chloroaniline
SMILESCCCCn1nnnc1-c1ccc(Cl)cc1N
InChIInChI=1S/C11H14ClN5/c1-2-3-6-17-11(14-15-16-17)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6,13H2,1H3
InChIKeyDMBJUTMWMXBSIL-UHFFFAOYSA-N
XLogP2.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)-5-chloroaniline?
The IUPAC name of 2-(1-butyltetrazol-5-yl)-5-chloroaniline (CID 61353252) is 2-(1-butyltetrazol-5-yl)-5-chloroaniline.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)-5-chloroaniline?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)-5-chloroaniline is CCCCn1nnnc1-c1ccc(Cl)cc1N.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)-5-chloroaniline?
The InChIKey is DMBJUTMWMXBSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-2-3-6-17-11(14-15-16-17)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 2-(1-butyltetrazol-5-yl)-5-chloroaniline?
2-(1-butyltetrazol-5-yl)-5-chloroaniline has a molecular weight of 251.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)-5-chloroaniline is sourced from PubChem (CID 61353252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).