2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline

C10H12ClN5 — CID 115547874

IUPAC2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline
SMILESCC(C)n1nnnc1-c1cccc(Cl)c1N
InChIInChI=1S/C10H12ClN5/c1-6(2)16-10(13-14-15-16)7-4-3-5-8(11)9(7)12/h3-6H,12H2,1-2H3
InChIKeyAYLJAUUGWVXOLL-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.16
Rot. Bonds2

About 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline

2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline (PubChem CID 115547874) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline
PubChem CID115547874
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline
SMILESCC(C)n1nnnc1-c1cccc(Cl)c1N
InChIInChI=1S/C10H12ClN5/c1-6(2)16-10(13-14-15-16)7-4-3-5-8(11)9(7)12/h3-6H,12H2,1-2H3
InChIKeyAYLJAUUGWVXOLL-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.16
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-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline?
The IUPAC name of 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline (CID 115547874) is 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline.
What is the SMILES notation for 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline?
The canonical SMILES for 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline is CC(C)n1nnnc1-c1cccc(Cl)c1N.
What is the InChIKey of 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline?
The InChIKey is AYLJAUUGWVXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-6(2)16-10(13-14-15-16)7-4-3-5-8(11)9(7)12/h3-6H,12H2,1-2H3.
What are the key properties of 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline?
2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline has a molecular weight of 237.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline is sourced from PubChem (CID 115547874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).